CC1=CC2C(CC1)C(C)CCC2C(C)C(=O)O
Predicted BDE: 79.5 kcal/mol
Similar DFT-Calculated Bonds
CC1=N[C@@H](C(C)C)S[C@@H]1C
BDE(DFT): 79.3 kcal/molDistance: 0.69
CC1=N[C@H](C(C)C)S[C@@H]1C
BDE(DFT): 79.5 kcal/molDistance: 0.75
CC1=N[C@@H](C(C)C)S[C@H]1C
BDE(DFT): 79.5 kcal/molDistance: 0.77
C[C@@H]1C=CC[C@@H]2CC=C[C@H]12
BDE(DFT): 78.8 kcal/molDistance: 0.78
C#C[C@H](C)N1CCCCC1
BDE(DFT): 79.4 kcal/molDistance: 0.79
CC1=N[C@H](C(C)C)S[C@H]1C
BDE(DFT): 79.3 kcal/molDistance: 0.80
C#C[C@H](C)N(C)C
BDE(DFT): 79.3 kcal/molDistance: 0.82
C=C(CN(C)C)C(=O)OC
BDE(DFT): 79.3 kcal/molDistance: 0.91
N[C@@H]1C=C[C@H](CO)C1
BDE(DFT): 79.1 kcal/molDistance: 0.92