Geometry & MOs

Info

ID:	375624
PubChem CID:	134214148
Reduced:	FN3O4C19H20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	179.075785
ΔH_f, kcal/mol:	-151.64
Dipole, Da:	5.24
IP(EA), eV:	-8.99(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5R)-3-fluoro-3-(fluoromethyl)-5-(2-hydroxyethyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

COC1=C(C=C2C=CN=C(C2=C1)OC[C@@H]3C([C@@H](C(=O)N3)F)C4CC4)C(=O)N

DOS

IR

Vibrations