Geometry & MOs

Info

ID:	436088
PubChem CID:	135193764
Reduced:	O6H10C19 (1)
Stoich.:	A6B10C19 (1)
Weight, g/mol:	344.066029
ΔH_f, kcal/mol:	-120.87
Dipole, Da:	1.76
IP(EA), eV:	-8.4(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methoxy-1-(trifluoromethyl)benzo[a]xanthen-12-one

Drug info:

PubChemData

Smile

C1OC2=C(O1)C3=C(C=CC4=C3C(=O)C5=C(O4)C=CC6=C5OCO6)C=C2

DOS

IR

Vibrations