Geometry & MOs

Info

ID:	205015
PubChem CID:	80043129
Reduced:	BrFNO2H9C16 (1)
Stoich.:	ABCD2E9F16 (1)
Weight, g/mol:	285.060135
ΔH_f, kcal/mol:	-47.27
Dipole, Da:	2.78
IP(EA), eV:	-9.75(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-fluoro-2-(2-fluorophenyl)quinoline-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NC3=C(C=CC=C3F)C(=C2)C(=O)O)Br

DOS

IR

Vibrations