Geometry & MOs

Info

ID:	205788
PubChem CID:	80157851
Reduced:	ON3C6H6 (2)
Stoich.:	AB3C6D6 (2)
Weight, g/mol:	346.00654
ΔH_f, kcal/mol:	88.51
Dipole, Da:	10.67
IP(EA), eV:	-9.07(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromophenyl)methyl]-6-nitro-1H-benzimidazol-2-amine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CNC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations