Species |
Name |
Bond Length (Å) |
Atom1 index |
Atom2 index |
CN- |
cyanide anion |
1.177 |
1 |
2 |
CN |
Cyano radical |
1.169 |
1 |
2 |
HCN |
Hydrogen cyanide |
1.151 |
1 |
3 |
HCN+ |
hydrogen cyanide cation |
1.213 |
1 |
3 |
HNC |
hydrogen isocyanide |
1.167 |
1 |
2 |
HNC+ |
hydrogen isocyanide cation |
1.136 |
1 |
2 |
CH2NH |
Methanimine |
1.270 |
1 |
2 |
CH2NH+ |
Methanimine cation |
1.233 |
1 |
2 |
CHNH2 |
aminomethylene |
1.313 |
1 |
2 |
CH2NH2+ |
methyleneamine cation |
1.273 |
1 |
2 |
CH3NH2 |
methyl amine |
1.462 |
1 |
2 |
CH3NH2+ |
methyl amine cation |
1.427 |
1 |
2 |
CH3NH3 |
methyl ammonium radical |
1.499 |
1 |
2 |
LiCN |
lithium cyanide |
1.180 |
2 |
3 |
CNN |
Diazocarbene |
1.225 |
1 |
2 |
NaCN |
Sodium Cyanide |
1.180 |
1 |
2 |
AlCN |
Aluminum monocyanide |
1.164 |
2 |
3 |
AlNC |
Aluminum isocyanide |
1.181 |
2 |
3 |
KCN |
Potassium cyanide |
1.178 |
2 |
3 |
ZnCN |
Zinc monocyanide |
1.161 |
2 |
3 |
ZnNC |
Zinc isocyanide |
1.176 |
2 |
3 |
NCO |
isocyanato radical |
1.224 |
1 |
2 |
FCN |
Cyanogen fluoride |
1.151 |
1 |
3 |
CNF |
iso cyanogen fluoride |
1.171 |
1 |
2 |
ClCN |
chlorocyanogen |
1.155 |
2 |
3 |
BrCN |
Cyanogen bromide |
1.156 |
1 |
2 |
HCNO |
fulminic acid |
1.152 |
2 |
3 |
HSCN |
thiocyanic acid |
1.158 |
2 |
3 |
HNCS |
Isothiocyanic acid |
1.192 |
1 |
2 |
HNCNH |
diiminomethane |
1.220 |
1 |
2 |
|
|
1.220 |
1 |
3 |
CH3CN- |
acetonitrile anion |
1.227 |
2 |
3 |
CH3CN |
Acetonitrile |
1.154 |
2 |
3 |
CHNCH2 |
2H-Azirine |
1.256 |
1 |
2 |
|
|
1.557 |
1 |
3 |
HCNCH2+ |
2H-Azirine cation |
1.208 |
1 |
2 |
|
|
1.467 |
1 |
3 |
CHNHCH |
1H-Azirine |
1.512 |
1 |
2 |
|
|
1.512 |
1 |
3 |
CH3NC |
methyl isocyanide |
1.417 |
1 |
2 |
|
|
1.167 |
2 |
3 |
NCNH3+ |
Cyanamide, protonated |
1.152 |
1 |
2 |
|
|
1.405 |
1 |
3 |
HNCNH2+ |
diiminomethane, protonated |
1.154 |
1 |
2 |
|
|
1.279 |
1 |
3 |
NH3CN+ |
cyanamide, amine protonated |
1.405 |
1 |
2 |
|
|
1.152 |
1 |
3 |
H2CCNH |
Ethenimine |
1.224 |
2 |
3 |
HCCNH2 |
Ethynamine |
1.357 |
2 |
3 |
NH2CNH+ |
cyanamide, cn protonated |
1.144 |
1 |
2 |
|
|
1.283 |
1 |
3 |
H2CNCH |
methyleneaminomethylene |
1.270 |
1 |
2 |
|
|
1.221 |
2 |
3 |
CHONH2 |
formamide |
1.355 |
1 |
3 |
CH2NOH |
formaldoxime |
1.270 |
1 |
2 |
CH3NO |
nitrosomethane |
1.480 |
1 |
2 |
CNOH3 |
1,2-oxaziridine |
1.432 |
1 |
2 |
HOCHNH |
hydroxymethylimine |
1.258 |
1 |
3 |
CHSNH2 |
thioformamide |
1.336 |
1 |
3 |
NHCHSH |
Methanimidothioic acid |
1.267 |
1 |
2 |
NH2CHOH+ |
Formamide, O-protonated |
1.292 |
1 |
3 |
NH2CH2OH |
aminomethanol |
1.440 |
1 |
2 |
C2H5NH+ |
Protonated Aziridine |
1.013 |
1 |
2 |
|
|
1.013 |
1 |
3 |
C2H6N+ |
aziridine, protonated |
1.490 |
1 |
2 |
|
|
1.490 |
1 |
3 |
CH3CH2NH2 |
Ethylamine |
1.462 |
1 |
2 |
CH3NHCH3 |
Dimethylamine |
1.450 |
1 |
3 |
|
|
1.450 |
1 |
4 |
(CH3)2NH2+ |
dimethylammonium cation |
1.495 |
1 |
2 |
|
|
1.495 |
1 |
3 |
CH3CH2NH3+ |
ethylamine, protonated |
1.512 |
1 |
2 |
C2N2 |
Cyanogen |
1.155 |
1 |
3 |
|
|
1.155 |
2 |
4 |
HCCCN |
Cyanoacetylene |
1.154 |
1 |
2 |
HNCCNH |
Ethenediimine |
1.243 |
1 |
3 |
|
|
1.243 |
2 |
4 |
H2CNCN |
cyanamide, methylene |
1.158 |
3 |
4 |
|
|
1.274 |
1 |
2 |
|
|
1.350 |
2 |
3 |
C3H3N |
acrylonitrile |
1.154 |
1 |
2 |
CH3N3 |
methyl azide |
1.469 |
1 |
2 |
CH3NO2 |
Methane, nitro- |
1.482 |
1 |
2 |
HOCH2CN |
cyanomethanol |
1.154 |
2 |
7 |
CH3NCO |
methylisocyante |
1.429 |
1 |
2 |
|
|
1.189 |
2 |
3 |
NH2CH2CN |
Aminoacetonitrile |
1.155 |
3 |
4 |
|
|
1.454 |
1 |
2 |
NH2CCNH2 |
Diaminoacetylene |
1.355 |
1 |
3 |
|
|
1.355 |
2 |
4 |
CH3NHN2+ |
methyl azide, protonated |
1.485 |
1 |
2 |
NH2CONH2 |
Urea |
1.380 |
1 |
3 |
|
|
1.380 |
1 |
4 |
NH3COOH+ |
protonated Carbamic acid |
1.517 |
1 |
3 |
NH2COOH2+ |
Carbamic acid, O-protonated |
1.302 |
1 |
3 |
C2H5CN |
ethyl cyanide |
1.154 |
3 |
4 |
CH3CONH2 |
Acetamide |
1.364 |
2 |
3 |
CH3CHNOH |
Acetaldoxime |
1.269 |
2 |
3 |
HCONHCH3 |
N-methylformamide |
1.347 |
1 |
3 |
|
|
1.448 |
3 |
4 |
CH5N2O+ |
urea, N-protonated |
1.550 |
1 |
3 |
|
|
1.328 |
1 |
4 |
CH3C(OH)=NH |
Ethaninidic acid |
1.265 |
1 |
3 |
H2NCOHNH2+ |
urea, protonated |
1.318 |
1 |
3 |
|
|
1.312 |
1 |
4 |
CH3CSNH2 |
Ethanethioamide |
1.340 |
1 |
4 |
H2NCHCHNH2 |
diaminoethylene |
1.415 |
1 |
3 |
|
|
1.415 |
2 |
4 |
C3H7N |
Cyclopropylamine |
1.434 |
1 |
3 |
CH7N3 |
triaminomethane |
1.453 |
1 |
3 |
|
|
1.453 |
1 |
4 |
|
|
1.453 |
1 |
5 |
CH3CH(NH2)CH3 |
2-Propanamine |
1.460 |
1 |
2 |
N(CH3)3 |
Trimethylamine |
1.446 |
1 |
2 |
|
|
1.446 |
1 |
3 |
|
|
1.446 |
1 |
4 |
NH2CH2CH2CH3 |
1-Propanamine |
1.461 |
3 |
4 |
C3H7NH3+ |
n-propylamine, protonated |
1.512 |
3 |
4 |
(CH3)3NH+ |
protonated trimethyl amine |
1.020 |
1 |
2 |
|
|
1.491 |
1 |
3 |
|
|
1.491 |
1 |
4 |
C2H2N2O |
Furazan |
1.299 |
2 |
4 |
|
|
1.299 |
3 |
5 |
C3H3NO |
Isoxazole |
1.304 |
2 |
4 |
C3H3NS |
Thiazole |
1.295 |
2 |
4 |
|
|
1.376 |
4 |
5 |
C3H4N2 |
1H-Imidazole |
1.307 |
2 |
4 |
|
|
1.377 |
4 |
5 |
|
|
1.357 |
1 |
2 |
|
|
1.373 |
1 |
3 |
C3H4N2 |
4H-Imidazole |
1.277 |
2 |
3 |
|
|
1.455 |
3 |
4 |
|
|
1.430 |
1 |
2 |
|
|
1.282 |
1 |
5 |
C3H4N2 |
2H-Imidazole |
1.357 |
1 |
2 |
|
|
1.357 |
1 |
3 |
|
|
1.250 |
2 |
4 |
|
|
1.250 |
3 |
5 |
C4H5N |
Pyrrole |
1.367 |
1 |
3 |
|
|
1.367 |
1 |
4 |
CH3OCH2CN |
Methoxyacetonitrile |
1.154 |
4 |
5 |
C4H6N+ |
pyrrole, protonated |
1.474 |
1 |
2 |
|
|
1.474 |
1 |
3 |
C4H6N+ |
pyrrole, beta-protonated |
1.289 |
1 |
2 |
|
|
1.430 |
1 |
3 |
C4H6N+ |
pyrrole, alpha-protonated |
1.454 |
1 |
2 |
|
|
1.295 |
1 |
3 |
CH3CH2CH2CN |
Butanenitrile |
1.154 |
1 |
2 |
NH(C2H5)2 |
diethylamine |
1.454 |
1 |
2 |
|
|
1.454 |
1 |
3 |
C2H4N2S2 |
Ethanedithioamide |
1.321 |
1 |
5 |
|
|
1.321 |
2 |
6 |
C5H6N+ |
Pyridinium |
1.342 |
1 |
2 |
|
|
1.342 |
1 |
3 |
NH(CH3)CONH(CH3) |
Urea, N,N'-dimethyl- |
1.377 |
1 |
3 |
|
|
1.377 |
1 |
4 |
|
|
1.449 |
3 |
5 |
|
|
1.449 |
4 |
6 |
CH(CN)3 |
tricyanomethane |
1.152 |
3 |
6 |
|
|
1.152 |
4 |
7 |
|
|
1.152 |
5 |
8 |
HN=C=C(CN)2 |
Dicyanoketenimine |
1.199 |
2 |
3 |
|
|
1.155 |
4 |
6 |
|
|
1.155 |
5 |
7 |
C5H9NO2 |
Proline |
1.448 |
1 |
5 |
|
|
1.456 |
4 |
5 |