Geometry & MOs

Info

ID:	428495
PubChem CID:	135167545
Reduced:	O4H12C19 (1)
Stoich.:	A4B12C19 (1)
Weight, g/mol:	314.055464
ΔH_f, kcal/mol:	-75.96
Dipole, Da:	3.85
IP(EA), eV:	-8.56(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC3=CC4=C(C=C32)OC5=CC=CC=C5C4=O

DOS

IR

Vibrations