Geometry & MOs

Info

ID:	54975
PubChem CID:	17389610
Reduced:	NBr2O3H9C11 (1)
Stoich.:	AB2C3D9E11 (1)
Weight, g/mol:	249.063722
ΔH_f, kcal/mol:	-98.26
Dipole, Da:	3.56
IP(EA), eV:	-9.85(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-carboxyphenyl)-5-oxopyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1C(CN(C1=O)C2=C(C=C(C=C2)Br)Br)C(=O)O

DOS

IR

Vibrations