Geometry & MOs

Info

ID:	7953
PubChem CID:	74524
Reduced:	O2N3H7C8 (1)
Stoich.:	A2B3C7D8 (1)
Weight, g/mol:	177.053826
ΔH_f, kcal/mol:	34.15
Dipole, Da:	6.86
IP(EA), eV:	-9.82(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-nitro-1H-benzimidazole

Drug info:

PubChemData

Smile

CC1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations