Geometry & MOs

Info

ID:	318803
PubChem CID:	126653335
Reduced:	NOC12H15 (1)
Stoich.:	ABC12D15 (1)
Weight, g/mol:	225.09652
ΔH_f, kcal/mol:	-40.18
Dipole, Da:	4.78
IP(EA), eV:	-9.28(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-(2,6-difluoro-4-methylphenyl)-3-methylpyrrolidin-2-one

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](CNC1=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations