Geometry & MOs

Info

ID:	17290
PubChem CID:	491910
Reduced:	FO3N4C21H21 (1)
Stoich.:	AB3C4D21E21 (1)
Weight, g/mol:	396.159769
ΔH_f, kcal/mol:	-107.48
Dipole, Da:	14.68
IP(EA), eV:	-8.85(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-aminophenyl)-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)N)F

DOS

IR

Vibrations