Geometry & MOs

Info

ID:	16690
PubChem CID:	474744
Reduced:	BrFN4O4C24H24 (1)
Stoich.:	ABC4D4E24F24 (1)
Weight, g/mol:	530.0965
ΔH_f, kcal/mol:	-108.69
Dipole, Da:	10.22
IP(EA), eV:	-9.09(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-[2-(4-bromophenyl)-2-hydroxyiminoethyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CC(=NO)C4=CC=C(C=C4)Br)F)C(=O)O

DOS

IR

Vibrations