Geometry & MOs

Info

ID:	43105
PubChem CID:	10318568
Reduced:	FN2O6C19H25 (1)
Stoich.:	AB2C6D19E25 (1)
Weight, g/mol:	396.159769
ΔH_f, kcal/mol:	-294.9
Dipole, Da:	4.85
IP(EA), eV:	-9.74(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NC(CC(=O)OC)C(=O)CF)NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations