Species |
Name |
Bond Length (Å) |
Atom1 index |
Atom2 index |
CN- |
cyanide anion |
1.175 |
1 |
2 |
CN |
Cyano radical |
1.168 |
1 |
2 |
CN+ |
Cyano cation |
1.175 |
1 |
2 |
HCN |
Hydrogen cyanide |
1.152 |
1 |
3 |
HCN+ |
hydrogen cyanide cation |
1.216 |
1 |
3 |
HNC |
hydrogen isocyanide |
1.171 |
1 |
2 |
H2CN |
Dihydrogen cyanide radical |
1.232 |
1 |
2 |
H2CN+ |
hydrocyanonium cation |
1.191 |
1 |
2 |
CNH2 |
Aminomethylidyne radical |
1.280 |
1 |
2 |
CNH2+ |
N-protonated hydrogen isocyanide |
1.241 |
1 |
2 |
HCNH |
methyleneazane |
1.229 |
1 |
2 |
HCNH+ |
N-protonated HCN |
1.137 |
1 |
2 |
CH2NH |
Methanimine |
1.262 |
1 |
2 |
CH2NH2+ |
methyleneamine cation |
1.270 |
1 |
2 |
CH3NH2 |
methyl amine |
1.443 |
1 |
2 |
CH3NH2+ |
methyl amine cation |
1.378 |
1 |
2 |
CH3NH3 |
methyl ammonium radical |
1.483 |
1 |
2 |
CH3NH3+ |
protonated methylamine |
1.485 |
1 |
2 |
NCN |
Cyanoimidogen |
1.225 |
1 |
2 |
|
|
1.225 |
1 |
3 |
LiCN |
lithium cyanide |
1.177 |
2 |
3 |
CN2 |
3H-Diazirin-3-ylidene |
1.386 |
1 |
2 |
|
|
1.386 |
1 |
3 |
NaCN |
Sodium Cyanide |
1.178 |
1 |
2 |
KCN |
Potassium cyanide |
1.175 |
2 |
3 |
ZnCN |
Zinc monocyanide |
1.161 |
2 |
3 |
ZnNC |
Zinc isocyanide |
1.175 |
2 |
3 |
NCO- |
cyanate |
1.193 |
1 |
2 |
NCO |
isocyanato radical |
1.221 |
1 |
2 |
CNO- |
fulminate |
1.193 |
1 |
2 |
SCN- |
thiocyanide anion |
1.178 |
1 |
3 |
FCN |
Cyanogen fluoride |
1.158 |
1 |
3 |
CNF |
iso cyanogen fluoride |
1.183 |
1 |
2 |
ClCN |
chlorocyanogen |
1.161 |
2 |
3 |
BrCN |
Cyanogen bromide |
1.162 |
1 |
2 |
ICN |
Cyanogen iodide |
1.162 |
2 |
3 |
HCCN |
cyanomethylene |
1.205 |
2 |
3 |
HOCN |
cyanic acid |
1.161 |
1 |
2 |
HCNO |
fulminic acid |
1.167 |
2 |
3 |
HNCNH |
diiminomethane |
1.218 |
1 |
2 |
|
|
1.218 |
1 |
3 |
NH2CN |
cyanamide |
1.163 |
1 |
2 |
|
|
1.323 |
1 |
3 |
CH3CN |
Acetonitrile |
1.157 |
2 |
3 |
CHNCH2 |
2H-Azirine |
1.254 |
1 |
2 |
|
|
1.554 |
1 |
3 |
CHNHCH |
1H-Azirine |
1.504 |
1 |
2 |
|
|
1.504 |
1 |
3 |
CH3NC |
methyl isocyanide |
1.397 |
1 |
2 |
|
|
1.173 |
2 |
3 |
NCNH3+ |
Cyanamide, protonated |
1.153 |
1 |
2 |
|
|
1.391 |
1 |
3 |
HNCNH2+ |
diiminomethane, protonated |
1.162 |
1 |
2 |
|
|
1.272 |
1 |
3 |
H2CCNH |
Ethenimine |
1.219 |
2 |
3 |
HCCNH2 |
Ethynamine |
1.332 |
2 |
3 |
H2CNCH |
methyleneaminomethylene |
1.276 |
1 |
2 |
|
|
1.211 |
2 |
3 |
CHONH2 |
formamide |
1.349 |
1 |
3 |
CH2NOH |
formaldoxime |
1.267 |
1 |
2 |
CH3NO |
nitrosomethane |
1.456 |
1 |
2 |
CNOH3 |
1,2-oxaziridine |
1.429 |
1 |
2 |
HOCHNH |
hydroxymethylimine |
1.261 |
1 |
3 |
CH3CHN |
methylmethaniminyl radical |
1.238 |
1 |
3 |
CH2CHNH |
vinylazine |
1.307 |
1 |
3 |
H2CONH2+ |
protonated formamide |
1.295 |
1 |
3 |
CH2CHNH2 |
aminoethene |
1.370 |
2 |
3 |
CH2NCH3 |
N-methylmethanimine |
1.425 |
1 |
2 |
|
|
1.259 |
2 |
3 |
CH3CHNH |
ethanimine |
1.266 |
2 |
3 |
NH2CH2NH2 |
diaminomethane |
1.443 |
1 |
2 |
|
|
1.443 |
1 |
3 |
C2H5NH+ |
Protonated Aziridine |
1.027 |
1 |
2 |
|
|
1.027 |
1 |
3 |
C2H6N+ |
aziridine, protonated |
1.479 |
1 |
2 |
|
|
1.479 |
1 |
3 |
(CH3)2NH2+ |
dimethylammonium cation |
1.480 |
1 |
2 |
|
|
1.480 |
1 |
3 |
CH3CH2NH3+ |
ethylamine, protonated |
1.499 |
1 |
2 |
C2N2 |
Cyanogen |
1.161 |
1 |
3 |
|
|
1.161 |
2 |
4 |
HCCCN |
Cyanoacetylene |
1.164 |
1 |
2 |
C3H3N+ |
acrylonitrile cation |
1.180 |
1 |
2 |
CH3N3 |
methyl azide |
1.441 |
1 |
2 |
NH2COOH |
Carbamic acid |
1.347 |
1 |
3 |
NH2CH2CN |
Aminoacetonitrile |
1.158 |
3 |
4 |
|
|
1.441 |
1 |
2 |
NH2CCNH2 |
Diaminoacetylene |
1.343 |
1 |
3 |
|
|
1.343 |
2 |
4 |
CH3NHN2+ |
methyl azide, protonated |
1.472 |
1 |
2 |
NH2CONH2 |
Urea |
1.374 |
1 |
3 |
|
|
1.374 |
1 |
4 |
NH3COOH+ |
protonated Carbamic acid |
1.527 |
1 |
3 |
NH2COOH2+ |
Carbamic acid, O-protonated |
1.306 |
1 |
3 |
CH5N3 |
Guanidine |
1.277 |
1 |
2 |
|
|
1.382 |
1 |
3 |
|
|
1.380 |
1 |
4 |
CH3CHNOH |
Acetaldoxime |
1.274 |
2 |
3 |
HCONHCH3 |
N-methylformamide |
1.346 |
1 |
3 |
|
|
1.437 |
3 |
4 |
CH5N2O+ |
urea, N-protonated |
1.574 |
1 |
3 |
|
|
1.322 |
1 |
4 |
H2NCOHNH2+ |
urea, protonated |
1.321 |
1 |
3 |
|
|
1.314 |
1 |
4 |
CH3NNCH3 |
(Z)-1,2-Dimethyldiazene |
1.451 |
1 |
3 |
|
|
1.451 |
2 |
4 |
CH6N3+ |
guanidinium |
1.327 |
1 |
2 |
|
|
1.327 |
1 |
3 |
|
|
1.327 |
1 |
4 |
CH3NNCH3 |
(E)-1,2-Dimethyldiazene |
1.436 |
1 |
3 |
|
|
1.436 |
2 |
4 |
C3H7N |
Cyclopropylamine |
1.422 |
1 |
3 |
CH7N3 |
triaminomethane |
1.442 |
1 |
3 |
|
|
1.442 |
1 |
4 |
|
|
1.442 |
1 |
5 |
HOCH2CH2NH2 |
monoethanolamine |
1.452 |
1 |
2 |
CH3NHNHCH3 |
dimethyl hydrazine |
1.439 |
1 |
3 |
|
|
1.439 |
2 |
4 |
NH2CH2CH2CH3 |
1-Propanamine |
1.443 |
3 |
4 |
C3H7NH3+ |
n-propylamine, protonated |
1.497 |
3 |
4 |
(CH3)3NH+ |
protonated trimethyl amine |
1.034 |
1 |
2 |
|
|
1.478 |
1 |
3 |
|
|
1.478 |
1 |
4 |
CH2N4 |
1H-Tetrazole |
1.342 |
1 |
2 |
|
|
1.306 |
1 |
5 |
C3H3N2- |
imidizolyl anion |
1.343 |
1 |
2 |
|
|
1.343 |
1 |
3 |
|
|
1.360 |
2 |
4 |
|
|
1.360 |
3 |
5 |
C3H3N2 |
imidazolyl radical |
1.363 |
1 |
2 |
|
|
1.363 |
1 |
3 |
|
|
1.313 |
2 |
4 |
|
|
1.313 |
3 |
5 |
C3H3NO |
Oxazole |
1.288 |
2 |
3 |
|
|
1.377 |
3 |
4 |
C3H4N2 |
1H-Imidazole |
1.309 |
2 |
4 |
|
|
1.362 |
4 |
5 |
|
|
1.357 |
1 |
2 |
|
|
1.366 |
1 |
3 |
C3H4N2 |
4H-Imidazole |
1.283 |
2 |
3 |
|
|
1.434 |
3 |
4 |
|
|
1.408 |
1 |
2 |
|
|
1.287 |
1 |
5 |
C3H4N2 |
2H-Imidazole |
1.345 |
1 |
2 |
|
|
1.345 |
1 |
3 |
|
|
1.255 |
2 |
4 |
|
|
1.255 |
3 |
5 |
C4H4N- |
pyrrolide anion |
1.353 |
1 |
2 |
|
|
1.353 |
1 |
3 |
C4H4N |
pyrrolide radical |
1.337 |
1 |
2 |
|
|
1.337 |
1 |
3 |
C4H5N |
(E)-2-Butenenitrile |
1.161 |
9 |
10 |
C4H5N |
(Z)-2-Butenenitrile |
1.161 |
1 |
2 |
C4H5N |
Cyclopropanecarbonitrile |
1.159 |
7 |
8 |
CH3OCH2CN |
Methoxyacetonitrile |
1.157 |
4 |
5 |
C4H6N+ |
pyrrole, protonated |
1.463 |
1 |
2 |
|
|
1.463 |
1 |
3 |
C4H6N+ |
pyrrole, beta-protonated |
1.301 |
1 |
2 |
|
|
1.404 |
1 |
3 |
C4H6N+ |
pyrrole, alpha-protonated |
1.434 |
1 |
2 |
|
|
1.307 |
1 |
3 |
C2H6N2O |
Urea, methyl- |
1.427 |
1 |
6 |
|
|
1.374 |
7 |
10 |
|
|
1.365 |
6 |
7 |
CH3CH(CH3)CN |
Propanenitrile, 2-methyl- |
1.158 |
1 |
2 |
CH3CH2CH2CN |
Butanenitrile |
1.157 |
1 |
2 |
C4H9N |
Cyclobutylamine |
1.442 |
1 |
10 |
NH(C2H5)2 |
diethylamine |
1.437 |
1 |
2 |
|
|
1.437 |
1 |
3 |
CH3C(NH2)HCH2CH3 |
2-Butanamine |
1.448 |
1 |
8 |
NC4H12+ |
tetramethyl ammonium cation |
1.479 |
1 |
2 |
|
|
1.479 |
1 |
3 |
|
|
1.479 |
1 |
4 |
|
|
1.479 |
1 |
5 |
C4N2 |
2-Butynedinitrile |
1.166 |
3 |
5 |
|
|
1.166 |
4 |
6 |
C4H2N2 |
Fumaronitrile |
1.161 |
3 |
5 |
|
|
1.161 |
4 |
6 |
CH3N5 |
5-Aminotetrazole |
1.344 |
1 |
3 |
|
|
1.318 |
1 |
6 |
|
|
1.355 |
1 |
9 |
C2H3NO3 |
Oxamic acid |
1.327 |
2 |
6 |
C2H4N4 |
1H-Tetrazole, 5-methyl- |
1.343 |
2 |
7 |
|
|
1.316 |
1 |
2 |
C2H4N4 |
1H-Tetrazole, 1-methyl- |
1.339 |
1 |
2 |
|
|
1.311 |
1 |
5 |
|
|
1.430 |
2 |
7 |
C2H4N4 |
2H-Tetrazole, 2-methyl- |
1.324 |
2 |
3 |
|
|
1.342 |
2 |
4 |
|
|
1.428 |
6 |
10 |
C2H4N2O2 |
Oxalamide |
1.333 |
1 |
5 |
|
|
1.333 |
2 |
6 |
C2H4N2S2 |
Ethanedithioamide |
1.319 |
1 |
5 |
|
|
1.319 |
2 |
6 |
C5H5N |
Bicyclo[1.1.0]butane-1-carbonitrile |
1.161 |
10 |
11 |
C4H5NO |
Isoxazole, 5-methyl- |
1.307 |
7 |
8 |
C4H5NO |
3-Methylisoxazole |
1.312 |
7 |
8 |
C4H5NS |
4-Methylthiazole |
1.364 |
2 |
9 |
|
|
1.294 |
3 |
9 |
C4H6N2 |
1H-Imidazole, 2-methyl- |
1.313 |
7 |
8 |
|
|
1.362 |
8 |
9 |
|
|
1.362 |
5 |
7 |
|
|
1.368 |
5 |
11 |
C5H6N+ |
Pyridinium |
1.342 |
1 |
2 |
|
|
1.342 |
1 |
3 |
C2H6N2O2 |
Dimethylnitroamine |
1.429 |
6 |
12 |
|
|
1.429 |
10 |
12 |
C2H6N2O2 |
(E)-Azodioxymethane |
1.445 |
1 |
5 |
|
|
1.445 |
2 |
6 |
CH6N4S |
Carbonothioic dihydrazide |
1.347 |
1 |
3 |
|
|
1.365 |
1 |
5 |
C5H7N |
Cyclobutanecarbonitrile |
1.158 |
1 |
2 |
C5H7N |
(E)-3-Pentenenitrile |
1.157 |
10 |
11 |
C5H7N |
(Z)-2-Pentenenitrile |
1.161 |
1 |
2 |
C5H7N |
(E)-2-Pentenenitrile |
1.161 |
1 |
2 |
C4H7NO |
2-Pyrrolidinone |
1.363 |
1 |
2 |
|
|
1.436 |
1 |
5 |
C4H7NO |
Oxazole, 4,5-dihydro-2-methyl- |
1.449 |
3 |
4 |
|
|
1.269 |
4 |
6 |
C4H7NO |
Ethoxyacetonitrile |
1.156 |
5 |
6 |
NH(CH3)CONH(CH3) |
Urea, N,N'-dimethyl- |
1.369 |
1 |
3 |
|
|
1.369 |
1 |
4 |
|
|
1.429 |
3 |
5 |
|
|
1.429 |
4 |
6 |
N(CH3)2CONH2 |
Urea, N,N-dimethyl- |
1.368 |
3 |
4 |
|
|
1.379 |
3 |
6 |
|
|
1.428 |
4 |
10 |
|
|
1.427 |
4 |
14 |
NH2CONHC2H5 |
Urea, ethyl- |
1.433 |
5 |
8 |
|
|
1.365 |
8 |
13 |
|
|
1.374 |
10 |
13 |
C5H9N |
Propanenitrile, 2,2-dimethyl- |
1.158 |
2 |
6 |
C5H9N |
1,2,3,6-Tetrahydropyridine |
1.445 |
10 |
15 |
|
|
1.446 |
13 |
15 |
C5H9N |
Butanenitrile, 2-methyl- |
1.158 |
1 |
2 |
C4H9NO |
Butanamide |
1.353 |
11 |
14 |
C4H9NO |
Propanamide, 2-methyl- |
1.352 |
10 |
13 |
C5H11N |
Cyclopentanamine |
1.441 |
1 |
2 |
C4H11NO |
Diethylhydroxylamine |
1.437 |
1 |
6 |
|
|
1.437 |
1 |
7 |
C4H12N2 |
2-Methyl-1,2-propanediamine |
1.452 |
1 |
7 |
|
|
1.438 |
4 |
10 |
C4H12N2 |
1,2-Butanediamine |
1.439 |
1 |
14 |
|
|
1.451 |
8 |
17 |
C5H5NO |
4-Pyridinol |
1.327 |
1 |
2 |
|
|
1.331 |
1 |
6 |
C5H5NO |
3(2H)-Pyridinone |
1.428 |
1 |
2 |
|
|
1.277 |
1 |
6 |
C5H5NO |
3(6H)-Pyridinone |
1.273 |
1 |
2 |
|
|
1.425 |
1 |
6 |
C5H5NO |
3(4H)-Pyridinone |
1.284 |
1 |
2 |
|
|
1.385 |
1 |
6 |
C5H5NO |
2(5H)-Pyridinone |
1.417 |
1 |
2 |
|
|
1.274 |
1 |
6 |
C5H5NO |
2(3H)-Pyridinone |
1.396 |
1 |
2 |
|
|
1.288 |
1 |
6 |
C5H5NO |
4(3H)-Pryidinone |
1.280 |
1 |
2 |
|
|
1.386 |
1 |
6 |
C5H5NO |
4(1H)-Pryidinone |
1.360 |
1 |
2 |
|
|
1.360 |
1 |
6 |
C5H5NO |
2(1H)-Pyridinone |
1.405 |
1 |
2 |
|
|
1.348 |
1 |
6 |
HO2CCHNH2CH2OH |
Serine |
1.443 |
4 |
7 |
C6H15N |
triethylamine |
1.444 |
1 |
2 |
|
|
1.444 |
1 |
3 |
|
|
1.444 |
1 |
4 |
C6H5NO |
nitrosobenzene |
1.423 |
1 |
7 |
C8H6 |
benzocyclobutadiene |
1.350 |
4 |
8 |
|
|
1.503 |
5 |
8 |
|
|
1.426 |
7 |
8 |
C5H9NO2 |
Proline |
1.440 |
1 |
5 |
|
|
1.447 |
4 |
5 |
C(CN)4 |
tetracyanomethane |
1.155 |
2 |
6 |
|
|
1.155 |
3 |
7 |
|
|
1.155 |
4 |
8 |
|
|
1.155 |
5 |
9 |
C3Cl3N3 |
1,3,5-Triazine, 2,4,6-trichloro- |
1.320 |
1 |
5 |
|
|
1.320 |
1 |
6 |
|
|
1.320 |
2 |
4 |
|
|
1.320 |
2 |
6 |
|
|
1.320 |
3 |
4 |
|
|
1.320 |
3 |
5 |
C3H3N3O3 |
cyanuric acid |
1.380 |
1 |
4 |
|
|
1.380 |
1 |
6 |
|
|
1.380 |
2 |
4 |
|
|
1.380 |
2 |
5 |
|
|
1.380 |
3 |
5 |
|
|
1.380 |
3 |
6 |
C5H4N4 |
purine |
1.322 |
2 |
3 |
|
|
1.378 |
8 |
9 |
|
|
1.355 |
4 |
9 |
|
|
1.372 |
5 |
7 |
|
|
1.303 |
7 |
8 |
|
|
1.323 |
3 |
4 |
|
|
1.346 |
1 |
2 |
|
|
1.319 |
1 |
6 |
C6N4 |
Tetracyanoethylene |
1.156 |
3 |
7 |
|
|
1.156 |
4 |
8 |
|
|
1.156 |
5 |
9 |
|
|
1.156 |
6 |
10 |
C12H10N2 |
azobenzene |
1.395 |
1 |
3 |
|
|
1.395 |
2 |
4 |