Geometry & MOs

Info

ID:	207237
PubChem CID:	80364073
Reduced:	ON2C5H9 (2)
Stoich.:	AB2C5D9 (2)
Weight, g/mol:	330.045732
ΔH_f, kcal/mol:	-7.37
Dipole, Da:	7.05
IP(EA), eV:	-9.38(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dichloro-2-(chloromethyl)-1-(1-cyclopropylbutan-2-yl)benzimidazole

Drug info:

PubChemData

Smile

CCC(C)N1C(=C(C(=N1)C(C)C)[N+](=O)[O-])N

DOS

IR

Vibrations