Geometry & MOs

Info

ID:	295401
PubChem CID:	117528062
Reduced:	ClN2H13C15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	264.102941
ΔH_f, kcal/mol:	59.59
Dipole, Da:	3.83
IP(EA), eV:	-8.88(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(chloromethyl)-1-methyl-2-(oxan-4-yl)benzimidazole

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)CCl)N=C1C3=CC=CC=C3

DOS

IR

Vibrations