Geometry & MOs

Info

ID:	124170
PubChem CID:	50873912
Reduced:	ClN3O3C12H12 (1)
Stoich.:	AB3C3D12E12 (1)
Weight, g/mol:	265.058637
ΔH_f, kcal/mol:	-113.73
Dipole, Da:	2.04
IP(EA), eV:	-9.66(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-carboxy-3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1C(CN(C1=O)C2=C(C=C(C=C2)C(=O)N)Cl)C(=O)N

DOS

IR

Vibrations