Geometry & MOs

Info

ID:	72000
PubChem CID:	48415702
Reduced:	ON3C20H23 (1)
Stoich.:	AB3C20D23 (1)
Weight, g/mol:	321.184112
ΔH_f, kcal/mol:	1.44
Dipole, Da:	2.98
IP(EA), eV:	-8.88(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N,3,5-trimethylbenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations