Geometry & MOs

Info

ID:	789
PubChem CID:	3357
Reduced:	F3N3O3C17H18 (1)
Stoich.:	A3B3C3D17E18 (1)
Weight, g/mol:	369.130026
ΔH_f, kcal/mol:	-217.36
Dipole, Da:	10.06
IP(EA), eV:	-9.09(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)CCF)F

DOS

IR

Vibrations