Geometry & MOs

Info

ID:	144683
PubChem CID:	53399054
Reduced:	ClNO2C15H16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	294.993362
ΔH_f, kcal/mol:	-84.77
Dipole, Da:	8.22
IP(EA), eV:	-9.2(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dichlorophenyl)pyrrolidine-2-carboxylic acid;hydrochloride

Drug info:

PubChemData

Smile

C1C(CNC1C(=O)O)C2=CC3=CC=CC=C3C=C2.Cl

DOS

IR

Vibrations