Geometry & MOs

Info

ID:	428500
PubChem CID:	135167550
Reduced:	O4H12C19 (1)
Stoich.:	A4B12C19 (1)
Weight, g/mol:	314.055464
ΔH_f, kcal/mol:	-72.71
Dipole, Da:	0.73
IP(EA), eV:	-8.62(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC3=C2C(=O)C4=CC5=CC=CC=C5C=C4O3

DOS

IR

Vibrations