CC1=CC2C(CC1)C(C)CCC2C(C)C(=O)O
Predicted BDE: 77.3 kcal/mol
Similar DFT-Calculated Bonds
CC[C@H](C(=O)O)[C@H](C)O
BDE(DFT): 77.0 kcal/molDistance: 0.71
C#C[C@H](C)N(C)C(C)=O
BDE(DFT): 77.4 kcal/molDistance: 0.75
CC[C@H](C(C)=O)[C@H](C)O
BDE(DFT): 77.3 kcal/molDistance: 0.78
CCN(CCN)CCCO
BDE(DFT): 76.6 kcal/molDistance: 0.86
CCCN(CC)CCN
BDE(DFT): 76.9 kcal/molDistance: 0.91
CCS[C@@H](C(N)=O)C(C)C
BDE(DFT): 76.7 kcal/molDistance: 0.91
C[C@H](C(=O)O)[C@H]1CCSC1
BDE(DFT): 76.8 kcal/molDistance: 0.94
C[C@@H](C(=O)O)[C@@H]1CCSC1
BDE(DFT): 76.8 kcal/molDistance: 0.95
CCCN(CC)CCC#N
BDE(DFT): 76.9 kcal/molDistance: 0.97
CCN(CC)C[C@H](N)CO
BDE(DFT): 76.8 kcal/molDistance: 0.97