Geometry & MOs

Info

ID:	392683
PubChem CID:	135017601
Reduced:	PN2C33H43 (1)
Stoich.:	AB2C33D43 (1)
Weight, g/mol:	287.071306
ΔH_f, kcal/mol:	21.56
Dipole, Da:	5.14
IP(EA), eV:	-8.9(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-4-(4-chlorophenyl)-5-hydroxy-1-phenylpyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)CCP(CCC2=CC=C(C=C2)C(C)(C)C)CCN3C=NC4=CC=CC=C43

DOS

IR

Vibrations