Geometry & MOs

Info

ID:	168152
PubChem CID:	74930072
Reduced:	OCl2N4H22C23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	404.140389
ΔH_f, kcal/mol:	15.06
Dipole, Da:	4.35
IP(EA), eV:	-9.42(-0.99)
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

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N(C=N3)CC4=NC=C(C=C4)Cl.Cl

DOS

IR

Vibrations