Geometry & MOs

Info

ID:	158680
PubChem CID:	56464634
Reduced:	ClN3O4C24H26 (1)
Stoich.:	AB3C4D24E26 (1)
Weight, g/mol:	405.205242
ΔH_f, kcal/mol:	-51.83
Dipole, Da:	4.32
IP(EA), eV:	-8.87(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclopropyl(methyl)amino]propyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2CC2)NC(=O)C3=CC(=C(C=C3)OCC4=CC=CC=C4Cl)OC

DOS

IR

Vibrations