Geometry & MOs

Info

ID:

85931

PubChem CID:

49880326

Reduced:

Cl2N2O3C13H13 (1)

Stoich.:

A2B2C3D13E13 (1)

Weight, g/mol:

377.045973

ΔHf, kcal/mol:

-95.37

Dipole, Da:

1.11

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.130197

Charge, e:

 -1

Chem-info

IUPAC name:

7-chloro-4-(2-methoxyanilino)-8-methylquinoline-3-carboxylic acid;chloride

Drug info:

PubChemData

Smile

C1=CC2=NC=C(C(=C2C=C1Cl)NCCCO)C(=O)O.[Cl-]

DOS

IR

Vibrations