Geometry & MOs

Info

ID:	10322
PubChem CID:	100353
Reduced:	O4N6C13H16 (1)
Stoich.:	A4B6C13D16 (1)
Weight, g/mol:	320.123303
ΔH_f, kcal/mol:	43.02
Dipole, Da:	7.85
IP(EA), eV:	-8.76(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations