Geometry & MOs

Info

ID:	257531
PubChem CID:	103146830
Reduced:	OF3C4H5 (2)
Stoich.:	AB3C4D5 (2)
Weight, g/mol:	286.081679
ΔH_f, kcal/mol:	-421.02
Dipole, Da:	5.3
IP(EA), eV:	-10.56(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7-methyl-1-benzofuran-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one

Drug info:

PubChemData

Smile

C(CC(F)(F)F)C(=O)CCOCC(F)(F)F

DOS

IR

Vibrations