Geometry & MOs

Info

ID:	264593
PubChem CID:	103473362
Reduced:	N2O2C6H7 (2)
Stoich.:	A2B2C6D7 (2)
Weight, g/mol:	265.059974
ΔH_f, kcal/mol:	-26.22
Dipole, Da:	4.48
IP(EA), eV:	-9.33(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(benzimidazol-1-yl)-3-nitropyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CC1CNCC(O1)COC2=C(C=C(C=N2)C#N)[N+](=O)[O-]

DOS

IR

Vibrations