Geometry & MOs

Info

ID:	250428
PubChem CID:	103096508
Reduced:	N2O2F3C13H19 (1)
Stoich.:	A2B2C3D13E19 (1)
Weight, g/mol:	248.083078
ΔH_f, kcal/mol:	-225.59
Dipole, Da:	1.82
IP(EA), eV:	-10.94(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]butan-1-ol

Drug info:

PubChemData

Smile

CCCC(C1=NOC(=N1)C2CCC(CC2)C(F)(F)F)O

DOS

IR

Vibrations