Geometry & MOs

Info

ID:	168151
PubChem CID:	74930071
Reduced:	OCl2N4H20C23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	440.117067
ΔH_f, kcal/mol:	41.09
Dipole, Da:	4.16
IP(EA), eV:	-9.27(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-chloropyridin-2-yl)methyl]-N-(1-phenylpropyl)benzimidazole-5-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N(C=N3)CC4=C(C=C(C=N4)Cl)Cl

DOS

IR

Vibrations