Geometry & MOs

Info

ID:	436080
PubChem CID:	135193719
Reduced:	ClO2H9C17 (1)
Stoich.:	AB2C9D17 (1)
Weight, g/mol:	314.055464
ΔH_f, kcal/mol:	-10.48
Dipole, Da:	1.46
IP(EA), eV:	-9.11(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C(=O)C4=C(O3)C(=CC=C4)Cl

DOS

IR

Vibrations