Geometry & MOs

Info

ID:	293997
PubChem CID:	117421525
Reduced:	FNO3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	267.127072
ΔH_f, kcal/mol:	-167.33
Dipole, Da:	8.79
IP(EA), eV:	-9.32(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(1-fluoroethyl)-6-methoxyphenyl]pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1=C(C=CC=C1OC)C2CC(CN2)C(=O)O)F

DOS

IR

Vibrations