Geometry & MOs

Info

ID:	202693
PubChem CID:	79710056
Reduced:	O2F4H12C13 (1)
Stoich.:	A2B4C12D13 (1)
Weight, g/mol:	266.114065
ΔH_f, kcal/mol:	-228.02
Dipole, Da:	3.03
IP(EA), eV:	-9.82(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(tert-butylsulfanylmethyl)-5-fluorophenyl]but-3-yn-1-ol

Drug info:

PubChemData

Smile

CC(C(F)(F)F)OCC1=CC(=CC(=C1)F)C#CCO

DOS

IR

Vibrations