Geometry & MOs

Info

ID:	371902
PubChem CID:	131278107
Reduced:	BrClO2C8H8 (1)
Stoich.:	ABC2D8E8 (1)
Weight, g/mol:	258.960312
ΔH_f, kcal/mol:	-74.16
Dipole, Da:	4.37
IP(EA), eV:	-9.07(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dichloro-8-fluoroquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1Br)CCl)O

DOS

IR

Vibrations