Geometry & MOs

Info

ID:	205014
PubChem CID:	80043128
Reduced:	FNO2C17H18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	344.98007
ΔH_f, kcal/mol:	-112.44
Dipole, Da:	2.43
IP(EA), eV:	-9.68(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromophenyl)-8-fluoroquinoline-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1CCC2=C(C1)C(=C3C=CC=C(C3=N2)F)C(=O)O

DOS

IR

Vibrations