Geometry & MOs

Info

ID:	16686
PubChem CID:	474735
Reduced:	FN4O4C25H25 (1)
Stoich.:	AB4C4D25E25 (1)
Weight, g/mol:	464.185983
ΔH_f, kcal/mol:	-84.61
Dipole, Da:	12.63
IP(EA), eV:	-8.93(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-6-fluoro-7-[4-(2-hydroxyimino-2-phenylethyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CC(=NO)C5=CC=CC=C5)F)C(=O)O

DOS

IR

Vibrations