Geometry & MOs

Info

ID:	294128
PubChem CID:	117427386
Reduced:	ClNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	269.081871
ΔH_f, kcal/mol:	-119.7
Dipole, Da:	3.82
IP(EA), eV:	-9.12(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-chloro-6-methoxy-2-methylphenyl)pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1=C(C=CC(=C1)Cl)N2CCOCC2)C(=O)O

DOS

IR

Vibrations