Geometry & MOs

Info

ID:	125070
PubChem CID:	50908748
Reduced:	F2N3O3C20H23 (1)
Stoich.:	A2B3C3D20E23 (1)
Weight, g/mol:	391.170748
ΔH_f, kcal/mol:	-166.48
Dipole, Da:	9.61
IP(EA), eV:	-9.11(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CCC[18F])F)C(=O)O

DOS

IR

Vibrations