Geometry & MOs

Info

ID:	236015
PubChem CID:	92711368
Reduced:	ClN2O2C17H21 (1)
Stoich.:	AB2C2D17E21 (1)
Weight, g/mol:	431.116732
ΔH_f, kcal/mol:	-85.99
Dipole, Da:	4.1
IP(EA), eV:	-8.85(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)[C@H]2CCN(C2=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations