Geometry & MOs

Info

ID:	64432
PubChem CID:	29200564
Reduced:	O3N4C25H30 (1)
Stoich.:	A3B4C25D30 (1)
Weight, g/mol:	476.278741
ΔH_f, kcal/mol:	-87.23
Dipole, Da:	3.91
IP(EA), eV:	-8.79(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)N2CCN(CC2)CCNC(=O)[C@H]3CC(=O)N(C3)C4=CC=CC=C4

DOS

IR

Vibrations