Species |
Name |
Bond Length (Å) |
Atom1 index |
Atom2 index |
CN- |
cyanide anion |
1.209 |
1 |
2 |
CN |
Cyano radical |
1.215 |
1 |
2 |
HCN |
Hydrogen cyanide |
1.202 |
1 |
3 |
HCN+ |
hydrogen cyanide cation |
1.299 |
1 |
3 |
HNC+ |
hydrogen isocyanide cation |
1.188 |
1 |
2 |
CH2NH |
Methanimine |
1.314 |
1 |
2 |
CH2NH+ |
Methanimine cation |
1.290 |
1 |
2 |
CHNH2 |
aminomethylene |
1.354 |
1 |
2 |
CH2NH2+ |
methyleneamine cation |
1.320 |
1 |
2 |
CH3NH2 |
methyl amine |
1.514 |
1 |
2 |
CH3NH2+ |
methyl amine cation |
1.501 |
1 |
2 |
LiCN |
lithium cyanide |
1.228 |
2 |
3 |
CNN |
Diazocarbene |
1.240 |
1 |
2 |
NaCN |
Sodium Cyanide |
1.204 |
1 |
2 |
AlCN |
Aluminum monocyanide |
1.207 |
2 |
3 |
AlNC |
Aluminum isocyanide |
1.216 |
2 |
3 |
KCN |
Potassium cyanide |
1.199 |
2 |
3 |
ZnCN |
Zinc monocyanide |
1.210 |
2 |
3 |
ZnNC |
Zinc isocyanide |
1.229 |
2 |
3 |
NCO |
isocyanato radical |
1.257 |
1 |
2 |
CNF |
iso cyanogen fluoride |
1.229 |
1 |
2 |
BrCN |
Cyanogen bromide |
1.210 |
1 |
2 |
ICN |
Cyanogen iodide |
1.209 |
2 |
3 |
HCCN |
cyanomethylene |
1.309 |
2 |
3 |
HCNO |
fulminic acid |
1.242 |
2 |
3 |
HSCN |
thiocyanic acid |
1.208 |
2 |
3 |
HNCS |
Isothiocyanic acid |
1.265 |
1 |
2 |
HNCNH |
diiminomethane |
1.278 |
1 |
2 |
|
|
1.278 |
1 |
3 |
NH2CN |
cyanamide |
1.211 |
1 |
2 |
|
|
1.371 |
1 |
3 |
CH3CN- |
acetonitrile anion |
1.251 |
2 |
3 |
CH3CN |
Acetonitrile |
1.204 |
2 |
3 |
CHNCH2 |
2H-Azirine |
1.323 |
1 |
2 |
|
|
1.590 |
1 |
3 |
HCNCH2+ |
2H-Azirine cation |
1.282 |
1 |
2 |
|
|
1.563 |
1 |
3 |
CHNHCH |
1H-Azirine |
1.568 |
1 |
2 |
|
|
1.568 |
1 |
3 |
NCNH3+ |
Cyanamide, protonated |
1.217 |
1 |
2 |
|
|
1.474 |
1 |
3 |
HNCNH2+ |
diiminomethane, protonated |
1.221 |
1 |
2 |
|
|
1.325 |
1 |
3 |
NH3CN+ |
cyanamide, amine protonated |
1.473 |
1 |
2 |
|
|
1.217 |
1 |
3 |
H2CCNH |
Ethenimine |
1.275 |
2 |
3 |
HCCNH2 |
Ethynamine |
1.424 |
2 |
3 |
NH2CNH+ |
cyanamide, cn protonated |
1.193 |
1 |
2 |
|
|
1.331 |
1 |
3 |
H2CNCH |
methyleneaminomethylene |
1.316 |
1 |
2 |
|
|
1.260 |
2 |
3 |
CHONH2 |
formamide |
1.453 |
1 |
3 |
CH2NOH |
formaldoxime |
1.329 |
1 |
2 |
CH3NO |
nitrosomethane |
1.587 |
1 |
2 |
CNOH3 |
1,2-oxaziridine |
1.519 |
1 |
2 |
HOCHNH |
hydroxymethylimine |
1.319 |
1 |
3 |
CHSNH2 |
thioformamide |
1.407 |
1 |
3 |
NHCHSH |
Methanimidothioic acid |
1.320 |
1 |
2 |
CH2CHNH |
vinylazine |
1.396 |
1 |
3 |
NH2CHOH+ |
Formamide, O-protonated |
1.349 |
1 |
3 |
NH2CH2OH |
aminomethanol |
1.515 |
1 |
2 |
C2H5NH+ |
Protonated Aziridine |
1.055 |
1 |
2 |
|
|
1.055 |
1 |
3 |
C2H6N+ |
aziridine, protonated |
1.538 |
1 |
2 |
|
|
1.538 |
1 |
3 |
(CH3)2NH2+ |
dimethylammonium cation |
1.546 |
1 |
2 |
|
|
1.546 |
1 |
3 |
CH3CH2NH3+ |
ethylamine, protonated |
1.563 |
1 |
2 |
C2N2 |
Cyanogen |
1.215 |
1 |
3 |
|
|
1.215 |
2 |
4 |
HNCCNH |
Ethenediimine |
1.300 |
1 |
3 |
|
|
1.300 |
2 |
4 |
H2CNCN |
cyanamide, methylene |
1.213 |
3 |
4 |
|
|
1.326 |
1 |
2 |
|
|
1.440 |
2 |
3 |
C3H3N+ |
acrylonitrile cation |
1.231 |
1 |
2 |
CH3N3 |
methyl azide |
1.537 |
1 |
2 |
CH3NO2 |
Methane, nitro- |
1.568 |
1 |
2 |
HOCH2CN |
cyanomethanol |
1.205 |
2 |
7 |
NH2COOH |
Carbamic acid |
1.463 |
1 |
3 |
CH3NCO |
methylisocyante |
1.502 |
1 |
2 |
|
|
1.273 |
2 |
3 |
C2H3NO |
Nitrosoethylene |
1.540 |
2 |
3 |
NH2CH2CN |
Aminoacetonitrile |
1.205 |
3 |
4 |
|
|
1.515 |
1 |
2 |
NH2CCNH2 |
Diaminoacetylene |
1.394 |
1 |
3 |
|
|
1.394 |
2 |
4 |
CH3NHN2+ |
methyl azide, protonated |
1.527 |
1 |
2 |
NH2CONH2 |
Urea |
1.433 |
1 |
3 |
|
|
1.433 |
1 |
4 |
NH3COOH+ |
protonated Carbamic acid |
1.650 |
1 |
3 |
NH2COOH2+ |
Carbamic acid, O-protonated |
1.364 |
1 |
3 |
C2H5CN |
ethyl cyanide |
1.204 |
3 |
4 |
CH3CHNOH |
Acetaldoxime |
1.333 |
2 |
3 |
HCONHCH3 |
N-methylformamide |
1.424 |
1 |
3 |
|
|
1.487 |
3 |
4 |
CH5N2O+ |
urea, N-protonated |
1.702 |
1 |
3 |
|
|
1.378 |
1 |
4 |
CH3C(OH)=NH |
Ethaninidic acid |
1.322 |
1 |
3 |
H2NCOHNH2+ |
urea, protonated |
1.372 |
1 |
3 |
|
|
1.367 |
1 |
4 |
CH3CSNH2 |
Ethanethioamide |
1.442 |
1 |
4 |
H2NCHCHNH2 |
diaminoethylene |
1.466 |
1 |
3 |
|
|
1.466 |
2 |
4 |
CH3NNCH3 |
(Z)-1,2-Dimethyldiazene |
1.554 |
1 |
3 |
|
|
1.554 |
2 |
4 |
CH3NNCH3 |
(E)-1,2-Dimethyldiazene |
1.546 |
1 |
3 |
|
|
1.546 |
2 |
4 |
CH7N3 |
triaminomethane |
1.518 |
1 |
3 |
|
|
1.518 |
1 |
4 |
|
|
1.518 |
1 |
5 |
HOCH2CH2NH2 |
monoethanolamine |
1.518 |
1 |
2 |
NH2CH2CH2CH3 |
1-Propanamine |
1.515 |
3 |
4 |
C3H7NH3+ |
n-propylamine, protonated |
1.564 |
3 |
4 |
(CH3)3NH+ |
protonated trimethyl amine |
1.063 |
1 |
2 |
|
|
1.547 |
1 |
3 |
|
|
1.547 |
1 |
4 |
CH2N4 |
1H-Tetrazole |
1.384 |
1 |
2 |
|
|
1.347 |
1 |
5 |
C2H2N2O |
Furazan |
1.374 |
2 |
4 |
|
|
1.374 |
3 |
5 |
C3H3N2- |
imidizolyl anion |
1.398 |
1 |
2 |
|
|
1.398 |
1 |
3 |
|
|
1.407 |
2 |
4 |
|
|
1.407 |
3 |
5 |
C3H3N2 |
imidazolyl radical |
1.448 |
1 |
2 |
|
|
1.448 |
1 |
3 |
|
|
1.356 |
2 |
4 |
|
|
1.356 |
3 |
5 |
C3H3NO |
Isoxazole |
1.374 |
2 |
4 |
C3H3NO |
Oxazole |
1.349 |
2 |
3 |
|
|
1.438 |
3 |
4 |
C3H3NS |
Thiazole |
1.346 |
2 |
4 |
|
|
1.445 |
4 |
5 |
C3H4N2 |
1H-Imidazole |
1.361 |
2 |
4 |
|
|
1.436 |
4 |
5 |
|
|
1.406 |
1 |
2 |
|
|
1.411 |
1 |
3 |
C3H4N2 |
4H-Imidazole |
1.329 |
2 |
3 |
|
|
1.533 |
3 |
4 |
|
|
1.332 |
1 |
5 |
|
|
1.506 |
1 |
2 |
C3H4N2 |
2H-Imidazole |
1.395 |
1 |
2 |
|
|
1.395 |
1 |
3 |
|
|
1.285 |
2 |
4 |
|
|
1.285 |
3 |
5 |
C4H4N- |
pyrrolide anion |
1.407 |
1 |
2 |
|
|
1.407 |
1 |
3 |
C4H4N |
pyrrolide radical |
1.396 |
1 |
2 |
|
|
1.396 |
1 |
3 |
C4H5N |
Pyrrole |
1.408 |
1 |
3 |
|
|
1.408 |
1 |
4 |
CH3OCH2CN |
Methoxyacetonitrile |
1.205 |
4 |
5 |
C4H6N+ |
pyrrole, protonated |
1.531 |
1 |
2 |
|
|
1.531 |
1 |
3 |
C4H6N+ |
pyrrole, beta-protonated |
1.339 |
1 |
2 |
|
|
1.477 |
1 |
3 |
C4H6N+ |
pyrrole, alpha-protonated |
1.508 |
1 |
2 |
|
|
1.345 |
1 |
3 |
CH3CH(CH3)CN |
Propanenitrile, 2-methyl- |
1.204 |
1 |
2 |
CH3CH2CH2CN |
Butanenitrile |
1.204 |
1 |
2 |
NH(C2H5)2 |
diethylamine |
1.516 |
1 |
2 |
|
|
1.516 |
1 |
3 |
C4H2N2 |
Fumaronitrile |
1.209 |
3 |
5 |
|
|
1.209 |
4 |
6 |
C2H4N2S2 |
Ethanedithioamide |
1.381 |
1 |
5 |
|
|
1.381 |
2 |
6 |
C5H6N+ |
Pyridinium |
1.392 |
1 |
2 |
|
|
1.392 |
1 |
3 |
NH(CH3)CONH(CH3) |
Urea, N,N'-dimethyl- |
1.475 |
1 |
3 |
|
|
1.475 |
1 |
4 |
|
|
1.502 |
3 |
5 |
|
|
1.502 |
4 |
6 |
CH(CN)3 |
tricyanomethane |
1.207 |
3 |
6 |
|
|
1.207 |
4 |
7 |
|
|
1.207 |
5 |
8 |
HN=C=C(CN)2 |
Dicyanoketenimine |
1.261 |
2 |
3 |
|
|
1.210 |
4 |
6 |
|
|
1.210 |
5 |
7 |
HO2CCHNH2CH2OH |
Serine |
1.484 |
4 |
7 |
C6H5NO |
nitrosobenzene |
1.554 |
1 |
7 |
C5H9NO2 |
Proline |
1.488 |
1 |
5 |
|
|
1.491 |
4 |
5 |
C6H12N2 |
Triethylenediamine |
1.525 |
1 |
3 |
|
|
1.525 |
1 |
4 |
|
|
1.525 |
1 |
5 |
|
|
1.525 |
2 |
6 |
|
|
1.525 |
2 |
7 |
|
|
1.525 |
2 |
8 |
C(CN)4 |
tetracyanomethane |
1.209 |
2 |
6 |
|
|
1.209 |
3 |
7 |
|
|
1.209 |
4 |
8 |
|
|
1.209 |
5 |
9 |
C3H3N3O3 |
cyanuric acid |
1.450 |
1 |
4 |
|
|
1.450 |
2 |
4 |
|
|
1.450 |
2 |
5 |
|
|
1.450 |
3 |
5 |
|
|
1.450 |
3 |
6 |
|
|
1.450 |
1 |
6 |
C12H10N2 |
azobenzene |
1.506 |
1 |
3 |
|
|
1.506 |
2 |
4 |