| 3,3-dimethylmorpholinium in GB/SA water | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Conformation | δE | Stat. point | 4,5,6,1 | 5,6,1,2 | 6,1,2,3 | 1,2,3,4 | 2,3,4,5 | 3,4,5,6 | Solvation |
| C | 0.00 | min | -44.6 | 51.8 | -59.0 | 58.4 | -50.1 | 43.8 | -53.71 |
| C | 0.00 | min | 44.6 | -51.8 | 59.0 | -58.4 | 50.1 | -43.8 | -53.71 |
| TB | 1.63 | min | 20.2 | 40.1 | -63.7 | 23.3 | 34.1 | -57.1 | -52.40 |
| TB | 1.63 | min | -20.3 | -40.1 | 63.7 | -23.3 | -34.1 | 57.1 | -52.40 |
| TB | 2.07 | min | 14.1 | -57.8 | 41.4 | 17.4 | -57.6 | 41.0 | -52.23 |
| TB | 2.07 | min | -14.1 | 57.8 | -41.4 | -17.4 | 57.5 | -41.0 | -52.23 |
| TB | 3.67 | min | 48.6 | -8.4 | -46.1 | 67.1 | -26.3 | -27.3 | -54.27 |
| TB | 3.67 | min | -48.6 | 8.4 | -46.1 | -67.1 | 26.3 | 27.3 | -54.27 |
| B | 4.18 | saddle | -34.7 | -16.6 | 63.7 | -61.5 | 10.8 | 35.3 | -53.82 |
| half-C | 6.47 | saddle | -17.7 | -6.1 | -6.1 | 42.5 | -63.8 | 51.3 | -53.57 |
| B | 6.67 | saddle | 45.2 | -44.0 | -0.6 | 46.8 | -43.7 | -0.2 | -53.85 |
| half-C | 9.95 | mm | 27.0 | -62.8 | 63.8 | -28.3 | -4.7 | 5.3 | -53.13 |