Geometry & MOs

Info

ID:	124285
PubChem CID:	50877072
Reduced:	ClON2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	236.071641
ΔH_f, kcal/mol:	-13.92
Dipole, Da:	1.07
IP(EA), eV:	-9.27(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-1-propylbenzimidazol-2-yl)ethanone

Drug info:

PubChemData

Smile

CCCN1C2=C(C=CC(=C2)Cl)N=C1C(=O)C

DOS

IR

Vibrations