Geometry & MOs

Info

ID:	428543
PubChem CID:	135167602
Reduced:	F3O3H11C19 (1)
Stoich.:	A3B3C11D19 (1)
Weight, g/mol:	344.066029
ΔH_f, kcal/mol:	-202.03
Dipole, Da:	3.96
IP(EA), eV:	-9.12(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-10-(trifluoromethyl)benzo[b]xanthen-12-one

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C(=O)C3=C(O2)C=C4C=CC=C(C4=C3)C(F)(F)F

DOS

IR

Vibrations