Geometry & MOs

Info

ID:	55007
PubChem CID:	17389651
Reduced:	NCl2O2C11H13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	225.055656
ΔH_f, kcal/mol:	-111.12
Dipole, Da:	5.12
IP(EA), eV:	-9.48(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations