Geometry & MOs

Info

ID:	17088
PubChem CID:	483612
Reduced:	N3O3F4H19C22 (1)
Stoich.:	A3B3C4D19E22 (1)
Weight, g/mol:	449.136254
ΔH_f, kcal/mol:	-234.58
Dipole, Da:	10.47
IP(EA), eV:	-8.99(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-difluorophenyl)-7-(4-ethylpiperazin-1-yl)-6,8-difluoro-4-oxoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4=C(C=C(C=C4)F)F)F

DOS

IR

Vibrations