Geometry & MOs

Info

ID:	428536
PubChem CID:	135167587
Reduced:	O6H10C19 (1)
Stoich.:	A6B10C19 (1)
Weight, g/mol:	328.071114
ΔH_f, kcal/mol:	-123.45
Dipole, Da:	2.11
IP(EA), eV:	-8.52(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1OC2=C(O1)C3=CC4=C(C=C3C=C2)OC5=C(C4=O)C=CC6=C5OCO6

DOS

IR

Vibrations