Geometry & MOs

Info

ID:	17035
PubChem CID:	482671
Reduced:	F2N3O4H23C24 (1)
Stoich.:	A2B3C4D23E24 (1)
Weight, g/mol:	455.165663
ΔH_f, kcal/mol:	-179.31
Dipole, Da:	10.38
IP(EA), eV:	-9.28(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-6,8-difluoro-4-oxo-7-(4-phenacylpiperazin-1-yl)quinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCN(CC3)CC(=O)C4=CC=CC=C4)F)C(=O)O

DOS

IR

Vibrations