Geometry & MOs

Info

ID:	236016
PubChem CID:	92711369
Reduced:	Cl2O2N3C22H23 (1)
Stoich.:	A2B2C3D22E23 (1)
Weight, g/mol:	431.116732
ΔH_f, kcal/mol:	-59.19
Dipole, Da:	4.8
IP(EA), eV:	-8.82(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1-(4-chlorophenyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)[C@@H]3CCN(C3=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations