Geometry & MOs

Info

ID:	321929
PubChem CID:	126667398
Reduced:	N2F3O3H11C18 (1)
Stoich.:	A2B3C3D11E18 (1)
Weight, g/mol:	358.056527
ΔH_f, kcal/mol:	-194.5
Dipole, Da:	3.61
IP(EA), eV:	-9.55(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-cyano-2-(trifluoromethyl)quinolin-8-yl]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

CN1C(=CC2=C1C(=CC(=C2)C#N)C3=CC(=C(C=C3)C(=O)O)O)C(F)(F)F

DOS

IR

Vibrations