Geometry & MOs

Info

ID:	257615
PubChem CID:	103147367
Reduced:	F3O3C10H13 (1)
Stoich.:	A3B3C10D13 (1)
Weight, g/mol:	324.074007
ΔH_f, kcal/mol:	-270.99
Dipole, Da:	5.89
IP(EA), eV:	-9.27(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-(2,2,2-trifluoroethoxy)butan-2-ol

Drug info:

PubChemData

Smile

C1=COC=C1CC(CCOCC(F)(F)F)O

DOS

IR

Vibrations