Geometry & MOs

Info

ID:	269862
PubChem CID:	103619471
Reduced:	ON2C5H5 (2)
Stoich.:	AB2C5D5 (2)
Weight, g/mol:	247.14331
ΔH_f, kcal/mol:	35.87
Dipole, Da:	4.76
IP(EA), eV:	-9.59(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanocyclohexyl)-2-(1,2,4-triazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CCC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)N

DOS

IR

Vibrations