Geometry & MOs

Info

ID:	318807
PubChem CID:	126653348
Reduced:	F2N2O2C13H14 (1)
Stoich.:	A2B2C2D13E14 (1)
Weight, g/mol:	194.085541
ΔH_f, kcal/mol:	-175.6
Dipole, Da:	6.36
IP(EA), eV:	-9.45(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-(3-fluoro-5-methylpyridin-2-yl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations