Geometry & MOs

Info

ID:	428544
PubChem CID:	135167603
Reduced:	F3O3H11C19 (1)
Stoich.:	A3B3C11D19 (1)
Weight, g/mol:	344.066029
ΔH_f, kcal/mol:	-196.55
Dipole, Da:	5.76
IP(EA), eV:	-8.93(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1OC3=C(C2=O)C=C4C(=C3)C=CC=C4C(F)(F)F

DOS

IR

Vibrations