|
i-propyl
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
General
|
Links to statistical data |
Links to theoretical energy data |
Contact Group |
CSD |
PDB |
Stats |
Theory |
any C,N,O,S or H |
9832 |
5332 |
|
|
any polar X-H (X= N,O or S) |
4840 |
1749 |
|
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
C,H only
|
Links to statistical data |
Links to theoretical energy data |
Contact Group |
CSD |
PDB |
Stats |
Theory |
any alkyl C-H |
4854 |
2137 |
|
|
methylene |
1920 |
700 |
|
|
methyl |
1933 |
1027 |
|
|
any aromatic C-H |
4856 |
914 |
|
|
substituted aromatic carbon |
2422 |
148 |
|
|
phenyl |
1370 |
375 |
|
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
N-H
|
Links to statistical data |
Links to theoretical energy data |
Contact Group |
CSD |
PDB |
Stats |
Theory |
any NH |
4882 |
364 |
|
|
any uncharged NH |
3058 |
* |
|
|
any cationic NH |
370 |
* |
|
|
aromatic cationic N-H |
65 |
* |
|
|
amide NH |
1380 |
120 |
|
|
uncharged C(sp2)/C(ar)-NH2 |
267 |
* |
|
|
cationic RNH3 |
150 |
24 |
|
|
cationic R3NH |
4 |
* |
|
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
O-H
|
Links to statistical data |
Links to theoretical energy data |
Contact Group |
CSD |
PDB |
Stats |
Theory |
any OH |
4873 |
1309 |
|
|
alcohol OH |
2736 |
125 |
|
|
phenol OH |
1177 |
223 |
|
|
water |
1682 |
961 |
|
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
Other N or O
|
Links to statistical data |
Links to theoretical energy data |
Contact Group |
CSD |
PDB |
Stats |
Theory |
aromatic or sp2 N |
3233 |
25 |
|
|
cyano |
2738 |
|
|
|
pyramidal R3N |
165 |
* |
|
|
uncharged planar R3N |
1216 |
2 |
|
|
cationic planar R3N |
66 |
|
|
|
any terminal O |
4927 |
979 |
|
|
any C=O |
4850 |
979 |
|
|
amide C=O |
1638 |
478 |
|
|
ester C=O |
1918 |
|
|
|
carboxylate |
812 |
286 |
|
|
aliphatic ether |
2491 |
|
|
|
linking O in esters |
1737 |
|
|
|
aromatic O |
301 |
|
|
|
sulfoxide/sulfone O |
423 |
|
|
|
nitro |
1614 |
* |
|
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
Sulfur
|
Links to statistical data |
Links to theoretical energy data |
Contact Group |
CSD |
PDB |
Stats |
Theory |
any S |
5305 |
210 |
|
|
any C=S |
644 |
|
|
|
aliphatic thioether |
111 |
294 |
|
|
aromatic S |
608 |
|
|
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
Halo/Halide
|
Links to statistical data |
Links to theoretical energy data |
Contact Group |
CSD |
PDB |
Stats |
Theory |
any C-F |
4892 |
|
|
|
any C-Cl |
4926 |
|
|
|
any C-Br |
1486 |
|
|
|
any C-I |
344 |
|
|
|
chloride ion |
1159 |
|
|
|
bromide ion |
499 |
|
|
|
iodide ion |
376 |
|
|
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/Halide|
Alkali Metal|
Amino acid
Alkali Metal
|
Links to statistical data |
Links to theoretical energy data |
Contact Group |
CSD |
PDB |
Stats |
Theory |
lithium ion |
54 |
|
|
|
sodium ion |
115 |
|
|
|
potassium ion |
649 |
|
|
|
rubidium ion |
42 |
|
|
|
cesuim ion |
57 |
|
|
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
Amino acid
|
Links to statistical data |
Links to theoretical energy data |
Contact Group |
CSD |
PDB |
Stats |
Theory |
CONH2 |
335 |
360 |
|
|
imidazole |
* |
205 |
|
|
guanidinium |
* |
177 |
|
|
* This search has not been done.
|
|