Geometry & MOs

Info

ID:	341799
PubChem CID:	127264492
Reduced:	FON2H9C10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	347.16452
ΔH_f, kcal/mol:	-55.49
Dipole, Da:	7.17
IP(EA), eV:	-9.54(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-11-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C#N)F)NC(=O)C

DOS

IR

Vibrations