Geometry & MOs

Info

ID:	428509
PubChem CID:	135167559
Reduced:	F2O2H8C17 (1)
Stoich.:	A2B2C8D17 (1)
Weight, g/mol:	280.029107
ΔH_f, kcal/mol:	-96.89
Dipole, Da:	4.7
IP(EA), eV:	-9.26(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-chlorobenzo[b]xanthen-12-one

Drug info:

PubChemData

Smile

C1=CC2=CC3=C(C=C2C(=C1)F)C(=O)C4=C(O3)C=CC=C4F

DOS

IR

Vibrations