Geometry & MOs

Info

ID:	428529
PubChem CID:	135167579
Reduced:	F2O2H8C17 (1)
Stoich.:	A2B2C8D17 (1)
Weight, g/mol:	382.042848
ΔH_f, kcal/mol:	-98.88
Dipole, Da:	2.25
IP(EA), eV:	-9.24(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC2=CC3=C(C=C21)OC4=C(C3=O)C=CC(=C4)F)F

DOS

IR

Vibrations