Geometry & MOs

Info

ID:	133713
PubChem CID:	51578671
Reduced:	ClON2H16C17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	492.1452
ΔH_f, kcal/mol:	35.4
Dipole, Da:	5.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.228576
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]benzamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=CC=C(C=C2)C=NC3=C(C=C(C=C3)Cl)[O-]

DOS

IR

Vibrations