Geometry & MOs

Info

ID:	436091
PubChem CID:	135193788
Reduced:	FO3H11C18 (1)
Stoich.:	AB3C11D18 (1)
Weight, g/mol:	344.066029
ΔH_f, kcal/mol:	-91.28
Dipole, Da:	3.65
IP(EA), eV:	-9.09(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C(=O)C3=C(O2)C=CC4=C3C=C(C=C4)F

DOS

IR

Vibrations