Geometry & MOs

Info

ID:	71893
PubChem CID:	48415583
Reduced:	ON2C8H9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	385.146013
ΔH_f, kcal/mol:	15.3
Dipole, Da:	2.03
IP(EA), eV:	-9.09(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-3-(methylsulfonylmethyl)benzamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C(=O)N(C)CCCC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations