Новосибирский институт органической химии им. Н.Н. Ворожцова СО РАН

Лаборатория изучения механизмов органических реакций

Conformers of Dottie's compounds

Methods of conformational anlysis: MM (Vconf) — QM (PRIRODA).
Energy by QM method (PRIRODA 11 program)

On figure(s) below click on the level title to download xyz file ==>
Click on energy level to view 3D structure in browser (run JSmol) ==>

0.00 0.00 0.83 0.83 0.94 0.94 2.24 2.24 4.14 4.14 4.44 4.44 4.60 4.60 4.68 4.68 5.30 5.30 6.26 6.26 7.07 7.07 8.05 8.05 8.13 8.13 8.22 8.22 8.28 8.28 8.86 8.86 8.94 8.94 9.14 9.14 9.22 9.22 9.49 9.49 9.52 9.52 9.65 9.65 10.31 10.31 12.22 12.22 14.59 14.59 0.00 0.00 3.38 3.38 4.35 4.35 4.68 4.68 10.74 10.74 10.93 10.93 12.20 12.20 12.34 12.34 0.00 0.00 1.38 1.38 2.95 2.95 3.96 3.96 4.04 4.04 4.16 4.16 5.59 5.59 6.30 6.30 0.00 0.00 0.12 0.12 1.80 1.80
All conformers
test_1   sdf   xyz
test_2   sdf   xyz
test_3   sdf   xyz
test_4   sdf   xyz