Geometry & MOs

Info

ID:	55006
PubChem CID:	17389650
Reduced:	FNO2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	261.032334
ΔH_f, kcal/mol:	-111.96
Dipole, Da:	1.81
IP(EA), eV:	-9.76(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-2-(4-chlorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride

Drug info:

PubChemData

Smile

C1CNC([C@H]1C(=O)O)C2=CC(=CC=C2)F

DOS

IR

Vibrations