Geometry & MOs

Info

ID:	64452
PubChem CID:	29200679
Reduced:	FO3N4C24H27 (1)
Stoich.:	AB3C4D24E27 (1)
Weight, g/mol:	454.177168
ΔH_f, kcal/mol:	-125.54
Dipole, Da:	5.16
IP(EA), eV:	-8.69(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[2-[4-(2-chlorobenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCNC(=O)[C@H]2CC(=O)N(C2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations