Gaussian Job Archive for C11H20N2
Henry S. Rzepa
10.6084/m9.figshare.96412.v1
https://figshare.com/articles/dataset/Gaussian_Job_Archive_for_C11H20N2/96412
Archive of work produced using the resources of the Imperial College High Performance Computing Service.
2012-10-12 15:43:17
InChI=1S/C11H21N2/c1-8(2)12-7-13(9(3)4)11(6)10(12)5/h7-9H,1-6H3
InChIKey=YWRUUQFSUXKWKJ-UHFFFAOYSA-N
N1([CH]N(C(=C1C)C)C(C)C)C(C)C
C11H20N2
Freq
b3lyp/gen
scrf=(cpcm,solvent=toluene)
integral=grid=ultrafine
Organic Chemistry