Geometry & MOs

Info

ID:	132220
PubChem CID:	51323798
Reduced:	N2O3H18C19 (1)
Stoich.:	A2B3C18D19 (1)
Weight, g/mol:	348.051299
ΔH_f, kcal/mol:	-58.16
Dipole, Da:	4.08
IP(EA), eV:	-8.63(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-chloro-4-nitrobenzamide

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)OCO2)NC(=O)CC3=CNC4=CC=CC=C43

DOS

IR

Vibrations