Geometry & MOs

Info

ID:	10323
PubChem CID:	100354
Reduced:	O2N3C9H9 (2)
Stoich.:	A2B3C9D9 (2)
Weight, g/mol:	382.138953
ΔH_f, kcal/mol:	76.03
Dipole, Da:	7.52
IP(EA), eV:	-8.53(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4,6-dinitro-5-(4-phenylpiperazin-1-yl)-1H-benzimidazole

Drug info:

PubChemData

Smile

CC1=NC2=C(C(=C(C=C2N1)[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations