Geometry & MOs

Info

ID:	72064
PubChem CID:	48415772
Reduced:	ClN3O3C21H24 (1)
Stoich.:	AB3C3D21E24 (1)
Weight, g/mol:	352.153541
ΔH_f, kcal/mol:	-67.68
Dipole, Da:	5.57
IP(EA), eV:	-8.71(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N,3-dimethyl-2-nitrobenzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1Cl)C(=O)N(C)CCCC2=NC3=CC=CC=C3N2)OC

DOS

IR

Vibrations