Geometry & MOs

Info

ID:	381590
PubChem CID:	134972373
Reduced:	ClNO3C26H26 (1)
Stoich.:	ABC3D26E26 (1)
Weight, g/mol:	435.160121
ΔH_f, kcal/mol:	-65.73
Dipole, Da:	3.45
IP(EA), eV:	-8.35(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-5-benzyl-4-(4-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CN2[C@@H]([C@H](CC2=O)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4)OC

DOS

IR

Vibrations