Geometry & MOs

Info

ID:	236019
PubChem CID:	92711372
Reduced:	ClN2O2C15H19 (1)
Stoich.:	AB2C2D15E19 (1)
Weight, g/mol:	401.114234
ΔH_f, kcal/mol:	-87.71
Dipole, Da:	4.4
IP(EA), eV:	-8.81(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(4-chlorophenyl)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CCN(CC)C(=O)[C@H]1CCN(C1=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations