Geometry & MOs

Info

ID:	71940
PubChem CID:	48415640
Reduced:	O3N5C19H21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	404.184841
ΔH_f, kcal/mol:	8.09
Dipole, Da:	7.85
IP(EA), eV:	-9.09(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide

Drug info:

PubChemData

Smile

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N(C)CCCC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations