Geometry & MOs

Info

ID:	16512
PubChem CID:	471667
Reduced:	FN3O3H22C23 (1)
Stoich.:	AB3C3D22E23 (1)
Weight, g/mol:	407.16452
ΔH_f, kcal/mol:	-79.82
Dipole, Da:	12.53
IP(EA), eV:	-8.93(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-6-fluoro-4-oxo-7-(4-phenylpiperazin-1-yl)quinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C5=CC=CC=C5)F)C(=O)O

DOS

IR

Vibrations