Geometry & MOs

Info

ID:

85938

PubChem CID:

49880342

Reduced:

ClN2F3O3H13C18 (1)

Stoich.:

AB2C3D3E13F18 (1)

Weight, g/mol:

383.041029

ΔHf, kcal/mol:

-182.96

Dipole, Da:

9.14

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750024

Charge, e:

 -1

Chem-info

IUPAC name:

4-(4-hydroxyanilino)-8-(trifluoromethyl)quinoline-3-carboxylic acid;chloride

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC2=C3C=CC=C(C3=NC=C2C(=O)O)C(F)(F)F.[Cl-]

DOS

IR

Vibrations