Geometry & MOs

Info

ID:	7939
PubChem CID:	74495
Reduced:	N4O4H8C13 (1)
Stoich.:	A4B4C8D13 (1)
Weight, g/mol:	284.054555
ΔH_f, kcal/mol:	66.76
Dipole, Da:	1.08
IP(EA), eV:	-10.04(-2.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-nitro-2-(4-nitrophenyl)-1H-benzimidazole

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations