Geometry & MOs

Info

ID:	129414
PubChem CID:	51072520
Reduced:	ClNO2C10H12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	238.131742
ΔH_f, kcal/mol:	-75.64
Dipole, Da:	3.31
IP(EA), eV:	-9.1(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-methylpropanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC)OC1=CC=C(C=C1)Cl

DOS

IR

Vibrations