Geometry & MOs

Info

ID:	197925
PubChem CID:	79017391
Reduced:	SN2C15H20 (1)
Stoich.:	AB2C15D20 (1)
Weight, g/mol:	285.056799
ΔH_f, kcal/mol:	31.74
Dipole, Da:	0.81
IP(EA), eV:	-9.0(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4-fluorophenyl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CNCCCC2=CC=CC=C2)C

DOS

IR

Vibrations