Geometry & MOs

Info

ID:	271818
PubChem CID:	103693121
Reduced:	N2O2C13H14 (1)
Stoich.:	A2B2C13D14 (1)
Weight, g/mol:	277.072591
ΔH_f, kcal/mol:	-53.18
Dipole, Da:	7.14
IP(EA), eV:	-9.41(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-fluoro-4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)C=C(C=C2)[C@@H](CC(=O)O)N

DOS

IR

Vibrations