Geometry & MOs

Info

ID:	428532
PubChem CID:	135167582
Reduced:	O2F6H8C19 (1)
Stoich.:	A2B6C8D19 (1)
Weight, g/mol:	328.071114
ΔH_f, kcal/mol:	-322.26
Dipole, Da:	4.54
IP(EA), eV:	-9.55(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methyl-1-(trifluoromethyl)benzo[b]xanthen-12-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations