Geometry & MOs

Info

ID:	230254
PubChem CID:	87570527
Reduced:	NC7O8H9 (1)
Stoich.:	AB7C8D9 (1)
Weight, g/mol:	403.996677
ΔH_f, kcal/mol:	-337.84
Dipole, Da:	3.14
IP(EA), eV:	-10.67(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(5-carboxy-6-chloropyridin-3-yl)-2-(2-chlorophenoxy)pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

C(CC(=O)OC(=O)O)[C@@H](C(=O)OC(=O)O)N

DOS

IR

Vibrations