Geometry & MOs

Info

ID:	72122
PubChem CID:	48415834
Reduced:	ON3C19H21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	406.236876
ΔH_f, kcal/mol:	11.6
Dipole, Da:	4.14
IP(EA), eV:	-8.89(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[3-(1H-benzimidazol-2-yl)propyl-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations