Geometry & MOs

Info

ID:	246953
PubChem CID:	103065779
Reduced:	ClON4C10H11 (1)
Stoich.:	ABC4D10E11 (1)
Weight, g/mol:	245.071975
ΔH_f, kcal/mol:	22.13
Dipole, Da:	2.84
IP(EA), eV:	-9.45(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[2-(chloromethyl)prop-2-enyl]benzimidazol-2-yl]acetonitrile

Drug info:

PubChemData

Smile

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=C)CCl

DOS

IR

Vibrations