Geometry & MOs

Info

ID:	318804
PubChem CID:	126653337
Reduced:	NOF2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	203.131014
ΔH_f, kcal/mol:	-134.01
Dipole, Da:	5.85
IP(EA), eV:	-9.67(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S,5R)-3,5-dimethyl-4-(4-methylphenyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](CNC1=O)C2=C(C=C(C=C2F)C)F

DOS

IR

Vibrations