Geometry & MOs

Info

ID:	428530
PubChem CID:	135167580
Reduced:	O2F6H8C19 (1)
Stoich.:	A2B6C8D19 (1)
Weight, g/mol:	382.042848
ΔH_f, kcal/mol:	-319.3
Dipole, Da:	7.95
IP(EA), eV:	-9.51(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,10-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(C=CC=C4O3)C(F)(F)F

DOS

IR

Vibrations