Geometry & MOs

Info

ID:	294064
PubChem CID:	117426159
Reduced:	FNO4C13H16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	269.106336
ΔH_f, kcal/mol:	-200.89
Dipole, Da:	6.2
IP(EA), eV:	-9.34(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluoro-2,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1=CC(=C2C(=C1)OCCO2)C(CN)C(=O)O)F

DOS

IR

Vibrations