Geometry & MOs

Info

ID:	428497
PubChem CID:	135167547
Reduced:	F2O2H8C17 (1)
Stoich.:	A2B2C8D17 (1)
Weight, g/mol:	314.055464
ΔH_f, kcal/mol:	-93.31
Dipole, Da:	4.38
IP(EA), eV:	-9.21(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(trifluoromethyl)benzo[b]xanthen-12-one

Drug info:

PubChemData

Smile

C1=CC=C2C=C3C(=CC2=C1)C(=O)C4=CC(=C(C=C4O3)F)F

DOS

IR

Vibrations