Geometry & MOs

Info

ID:	16343
PubChem CID:	464872
Reduced:	FN3O3C22H22 (1)
Stoich.:	AB3C3D22E22 (1)
Weight, g/mol:	395.16452
ΔH_f, kcal/mol:	-117.61
Dipole, Da:	13.62
IP(EA), eV:	-8.91(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dimethylphenyl)-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O)C

DOS

IR

Vibrations