Geometry & MOs

Info

ID:	294129
PubChem CID:	117427399
Reduced:	ClNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	269.081871
ΔH_f, kcal/mol:	-123.42
Dipole, Da:	6.17
IP(EA), eV:	-9.07(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-chloro-4-methoxy-2-methylphenyl)pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1C2CC(CN2)C(=O)O)OC)Cl

DOS

IR

Vibrations