Geometry & MOs

Info

ID:	7110
PubChem CID:	71235
Reduced:	FN3O3C19H22 (1)
Stoich.:	AB3C3D19E22 (1)
Weight, g/mol:	359.16452
ΔH_f, kcal/mol:	-145.9
Dipole, Da:	9.98
IP(EA), eV:	-9.02(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-12-methyl-8-(4-methylpiperazin-1-yl)-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1CCC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O

DOS

IR

Vibrations