Geometry & MOs

Info

ID:	435053
PubChem CID:	135178977
Reduced:	O2F3H9C18 (1)
Stoich.:	A2B3C9D18 (1)
Weight, g/mol:	314.055464
ΔH_f, kcal/mol:	-165.98
Dipole, Da:	4.82
IP(EA), eV:	-9.37(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C3=C(O2)C=C4C=CC(=CC4=C3)C(F)(F)F

DOS

IR

Vibrations