Geometry & MOs

Info

ID:	83757
PubChem CID:	49861052
Reduced:	ClN5C11H14 (1)
Stoich.:	AB5C11D14 (1)
Weight, g/mol:	449.132918
ΔH_f, kcal/mol:	67.93
Dipole, Da:	2.99
IP(EA), eV:	-8.69(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6,8-difluoro-1-(2-fluoroethyl)-4-oxoquinoline-3-carboxylic acid;hydrate;hydrochloride

Drug info:

PubChemData

Smile

CC(=NNC1=NN=C(C=C1)N2C=CC=C2)C.Cl

DOS

IR

Vibrations