Geometry & MOs

Info

ID:	72010
PubChem CID:	48415713
Reduced:	ON3C20H23 (1)
Stoich.:	AB3C20D23 (1)
Weight, g/mol:	412.166604
ΔH_f, kcal/mol:	-0.64
Dipole, Da:	6.53
IP(EA), eV:	-8.63(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3-(1H-benzimidazol-2-yl)propyl-methylamino]-4-oxobutyl]-4-chlorobenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations