Geometry & MOs

Info

ID:	206560
PubChem CID:	80267924
Reduced:	FNO3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	279.127072
ΔH_f, kcal/mol:	-161.02
Dipole, Da:	4.83
IP(EA), eV:	-9.66(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-1-(2-fluoro-4-methylbenzoyl)pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)N2CCC(C2)C(=O)O)F

DOS

IR

Vibrations