Geometry & MOs

Info

ID:

85929

PubChem CID:

49880310

Reduced:

ClON3C15H19 (1)

Stoich.:

ABC3D15E19 (1)

Weight, g/mol:

349.014673

ΔHf, kcal/mol:

24.57

Dipole, Da:

2.03

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750025

Charge, e:

 -1

Chem-info

IUPAC name:

6-chloro-4-(3-hydroxyanilino)quinoline-3-carboxylic acid;chloride

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)NC2=NC(=CC(=N2)C)C.[Cl-]

DOS

IR

Vibrations