Geometry & MOs

Info

ID:	381589
PubChem CID:	134972372
Reduced:	ClNO4C30H36 (1)
Stoich.:	ABC4D30E36 (1)
Weight, g/mol:	435.160121
ΔH_f, kcal/mol:	-136.05
Dipole, Da:	4.51
IP(EA), eV:	-8.25(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C[C@H](C1=CC=C(C=C1)Cl)[C@@H](CC2=CC=CC=C2)NCC3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations