Geometry & MOs

Info

ID:	318801
PubChem CID:	126653328
Reduced:	FNO2C13H14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	203.131014
ΔH_f, kcal/mol:	-117.79
Dipole, Da:	3.7
IP(EA), eV:	-9.08(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R,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=C3C(=C2)CCO3)F

DOS

IR

Vibrations