Geometry & MOs

Info

ID:	383125
PubChem CID:	134974681
Reduced:	O2F3N4C9H11 (1)
Stoich.:	A2B3C4D9E11 (1)
Weight, g/mol:	217.110279
ΔH_f, kcal/mol:	-182.52
Dipole, Da:	5.96
IP(EA), eV:	-8.86(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z,4R)-1-benzyl-3-ethylidene-4-hydroxypyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=NC=C(N1C)N/C(=N/C(=O)OC)/C(F)(F)F

DOS

IR

Vibrations