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Bond parameters developed for Org27569
| Type | Type | Kba | bob | Type | Type | Kba | bob |
|---|---|---|---|---|---|---|---|
| C61 | H61 | 310.0 | 1.0800 | N51 | HP1 | 408.0 | 1.0100 |
| NG1 | HP1 | 418.0 | 0.9970 | C21 | N31 | 263.0 | 1.4450 |
| CO1 | NG1 | 350.0 | 1.3450 | C51 | C51 | 390.0 | 1.3600 |
| CO1 | OD1 | 385.0 | 1.2300 | C61 | HG2 | 310.0 | 1.0800 |
| C31 | HG3 | 312.0 | 1.1110 | C21 | HG2 | 284.0 | 1.1110 |
Bold force constants were altered during the fit to the experimental IR spectrum.
Bold equilibrium values were altered during the conformational analysis.
