Geometry & MOs

Info

ID:	72239
PubChem CID:	48415958
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	367.16444
ΔH_f, kcal/mol:	-61.08
Dipole, Da:	4.23
IP(EA), eV:	-8.87(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)N(C)CCCC2=NC3=CC=CC=C3N2)OC

DOS

IR

Vibrations