Geometry & MOs

Info

ID:	285965
PubChem CID:	104142480
Reduced:	ClN3C12H14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	299.118925
ΔH_f, kcal/mol:	39.45
Dipole, Da:	5.43
IP(EA), eV:	-9.4(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(chloromethyl)-6-ethylpyridin-2-yl]-5,6-dimethylbenzimidazole

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CC(=C1)CCl)N2C=CN=C2

DOS

IR

Vibrations