Geometry & MOs

Info

ID:	80721
PubChem CID:	49836398
Reduced:	N4O7H16C21 (1)
Stoich.:	A4B7C16D21 (1)
Weight, g/mol:	269.080041
ΔH_f, kcal/mol:	-52.78
Dipole, Da:	8.25
IP(EA), eV:	-8.91(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-2-(3-nitrophenyl)-1H-benzimidazole

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations