Geometry & MOs

Info

ID:	428531
PubChem CID:	135167581
Reduced:	O2F6H8C19 (1)
Stoich.:	A2B6C8D19 (1)
Weight, g/mol:	382.042848
ΔH_f, kcal/mol:	-324.34
Dipole, Da:	7.39
IP(EA), eV:	-9.63(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=CC3=C(C=C2C(=C1)C(F)(F)F)C(=O)C4=C(O3)C=CC(=C4)C(F)(F)F

DOS

IR

Vibrations