Geometry & MOs

Info

ID:	436081
PubChem CID:	135193723
Reduced:	O2F3H9C18 (1)
Stoich.:	A2B3C9D18 (1)
Weight, g/mol:	264.058658
ΔH_f, kcal/mol:	-166.32
Dipole, Da:	5.66
IP(EA), eV:	-9.35(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluorobenzo[a]xanthen-12-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C(=O)C4=C(O3)C=CC(=C4)C(F)(F)F

DOS

IR

Vibrations