Geometry & MOs

Info

ID:	12171
PubChem CID:	131849
Reduced:	FN4O6H21C23 (1)
Stoich.:	AB4C6D21E23 (1)
Weight, g/mol:	468.144513
ΔH_f, kcal/mol:	-155.06
Dipole, Da:	7.46
IP(EA), eV:	-9.49(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-6-fluoro-7-[4-(4-nitrobenzoyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])F)C(=O)O

DOS

IR

Vibrations