Geometry & MOs

Info

ID:	21142
PubChem CID:	587332
Reduced:	NCl2F3O3H8C18 (1)
Stoich.:	AB2C3D3E8F18 (1)
Weight, g/mol:	412.983333
ΔH_f, kcal/mol:	-208.16
Dipole, Da:	0.54
IP(EA), eV:	-10.11(-2.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-(4-chlorobenzoyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)C2=NC3=C(C=C(C=C3C(F)(F)F)Cl)C(=C2)C(=O)O)Cl

DOS

IR

Vibrations