Geometry & MOs

Info

ID:	24137
PubChem CID:	608020
Reduced:	F3O3H7C13 (1)
Stoich.:	A3B3C7D13 (1)
Weight, g/mol:	268.034729
ΔH_f, kcal/mol:	-221.63
Dipole, Da:	3.99
IP(EA), eV:	-9.4(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxy-1-(trifluoromethyl)benzo[e][1]benzofuran-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations