Geometry & MOs

Info

ID:	12061
PubChem CID:	128412
Reduced:	NO3C18H19 (1)
Stoich.:	AB3C18D19 (1)
Weight, g/mol:	297.136493
ΔH_f, kcal/mol:	-80.28
Dipole, Da:	4.07
IP(EA), eV:	-9.42(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S,5S)-3-hydroxy-5-[(R)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one

Drug info:

PubChemData

Smile

CN1[C@@H]([C@@H]([C@H](C1=O)O)C2=CC=CC=C2)[C@@H](C3=CC=CC=C3)O

DOS

IR

Vibrations