Geometry & MOs

Info

ID:	428538
PubChem CID:	135167589
Reduced:	O6H10C19 (1)
Stoich.:	A6B10C19 (1)
Weight, g/mol:	328.071114
ΔH_f, kcal/mol:	-129.4
Dipole, Da:	1.86
IP(EA), eV:	-8.72(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-2-(trifluoromethyl)benzo[b]xanthen-12-one

Drug info:

PubChemData

Smile

C1OC2=C(O1)C3=C(C=C2)OC4=C(C3=O)C=C5C=C6C(=CC5=C4)OCO6

DOS

IR

Vibrations