Geometry & MOs

Info

ID:

85932

PubChem CID:

49880330

Reduced:

Cl2N2O3H15C18 (1)

Stoich.:

A2B2C3D15E18 (1)

Weight, g/mol:

407.056537

ΔHf, kcal/mol:

-69.4

Dipole, Da:

6.87

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.123456

Charge, e:

 -1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C(C(=CN=C12)C(=O)O)NC3=CC=CC=C3OC)Cl.[Cl-]

DOS

IR

Vibrations