Geometry & MOs

Info

ID:	312211
PubChem CID:	126603603
Reduced:	NOPC8H19 (1)
Stoich.:	ABCD8E19 (1)
Weight, g/mol:	264.162649
ΔH_f, kcal/mol:	-39.06
Dipole, Da:	3.16
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755343
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1,2-dimethyl-3-(2-prop-2-enylphenyl)-2H-benzimidazole

Drug info:

PubChemData

Smile

CCC(C)C(C)C(C)ON=P

DOS

IR

Vibrations