Geometry & MOs

Info

ID:	14936
PubChem CID:	424512
Reduced:	ZnN2O4H15C20 (1)
Stoich.:	AB2C4D15E20 (1)
Weight, g/mol:	411.032324
ΔH_f, kcal/mol:	-18.99
Dipole, Da:	6.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.203648
Charge, e:	-1

Chem-info

IUPAC name:

quinoline-2-carboxylic acid;2H-quinolin-1-ide-2-carboxylic acid;zinc

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC([N-]2)C(=O)O.C1=CC=C2C(=C1)C=CC(=N2)C(=O)O.[Zn]

DOS

IR

Vibrations