Geometry & MOs

Info

ID:	71902
PubChem CID:	48415599
Reduced:	ON3C20H23 (1)
Stoich.:	AB3C20D23 (1)
Weight, g/mol:	412.17467
ΔH_f, kcal/mol:	5.73
Dipole, Da:	4.78
IP(EA), eV:	-9.04(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-5-ethoxy-4-methoxy-N-methyl-2-nitrobenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations