Geometry & MOs

Info

ID:	428542
PubChem CID:	135167601
Reduced:	F3O3H11C19 (1)
Stoich.:	A3B3C11D19 (1)
Weight, g/mol:	344.066029
ΔH_f, kcal/mol:	-201.44
Dipole, Da:	3.13
IP(EA), eV:	-9.05(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC2=CC3=C(C=C21)C(=O)C4=C(O3)C=C(C=C4)C(F)(F)F

DOS

IR

Vibrations