Geometry & MOs

Info

ID:	257641
PubChem CID:	103147571
Reduced:	IO2F3C12H14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	210.086764
ΔH_f, kcal/mol:	-221.09
Dipole, Da:	6.77
IP(EA), eV:	-9.15(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2,2-trifluoroethoxy)hept-5-yn-3-ol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(CCOCC(F)(F)F)O)I

DOS

IR

Vibrations