| Morpholinium 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 | 55.9 | -50.2 | 50.2 | -55.9 | 60.3 | -60.3 | -56.66 |
| TB | 4.92 | min | 25.8 | 37.0 | -67.6 | 32.1 | 28.4 | -58.2 | -55.35 |
| TB | 4.92 | min | -25.8 | -37.0 | 67.6 | -32.1 | -28.5 | 58.2 | -55.35 |
| B | 5.93 | saddle | -2.9 | 56.5 | -56.5 | 2.9 | 47.7 | -47.7 | -54.91 |
| TB | 6.66 | min | 63.1 | -29.5 | -29.5 | 63.1 | -28.8 | -28.8 | -57.52 |
| TB | 6.66 | min | -63.1 | 29.5 | 29.5 | -63.1 | 28.8 | 28.8 | -57.52 |
| B | 7.23 | saddle | -60.3 | 53.2 | 0.0 | -50.4 | 41.7 | 10.2 | -57.06 |
| B | 7.23 | saddle | 60.3 | -53.2 | 0.0 | 50.4 | -41.7 | -10.3 | -57.05 |
| half-C | 10.66 | saddle | 27.5 | 7.5 | -7.5 | -27.5 | 59.8 | -59.8 | -56.22 |
| half-C | 11.07 | saddle | 63.5 | -72.8 | 41.4 | 0.5 | -22.3 | -8.7 | -56.47 |
| half-C | 12.83 | saddle | 64.8 | -33.6 | -2.4 | 10.9 | 18.2 | -54.6 | -57.15 |
| half-C | 12.83 | saddle | -65.1 | 34.1 | 2.0 | -11.1 | -17.8 | 54.3 | -57.16 |