Geometry & MOs

Info

ID:	28949
PubChem CID:	830837
Reduced:	ClN2O4H11C17 (1)
Stoich.:	AB2C4D11E17 (1)
Weight, g/mol:	267.100777
ΔH_f, kcal/mol:	-34.91
Dipole, Da:	8.76
IP(EA), eV:	-9.15(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-nitro-2-(2-phenylethyl)-1H-benzimidazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=C2O)C(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations