Rzepa, Henry S. Gaussian Job Archive for C17H26IMgN2O3(1+) Archive of work produced using the resources of the Imperial College High Performance Computing Service. InChI=1S/C12H16N2O2.C4H8O.CH3.I.Mg.H/c1-13-6-3-5-10-11(15)14-7-2-4-9(14)8-16-12(10)13;1-2-4-5-3-1;;;;/h3,6,9H,2,4-5,7-8H2,1H3;1-4H2;1H3;;;/q-1;;;;+1;/t9-;;;;;/m0...../s1;InChIKey=LREGSTZGXXTDPW-SADGAIANSA-N;C1CCN2[C@@H]1COC1=C([C]2O[Mg])CC=CN1C.[CH3].[I].O1CCCC1;C17H26IMgN2O3(1+);wB97XD/Gen;opt(calcall,ts,noeigentest,cartesian);scrf(cpcm,solvent=t;Organic Chemistry 2012-10-02
    https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C17H26IMgN2O3_1_/96211
10.6084/m9.figshare.96211.v1