CCCc1ccccc1C(=O)c1ccccc1
Predicted BDE: 99.8 kcal/mol
Similar DFT-Calculated Bonds
CCc1cccc(O)c1C
BDE(DFT): 99.4 kcal/molDistance: 0.46
CCc1ccccc1C=O
BDE(DFT): 99.8 kcal/molDistance: 0.51
CCc1cccc(F)c1C
BDE(DFT): 100.2 kcal/molDistance: 0.64
CCc1cc(=O)[nH]cc1C
BDE(DFT): 99.7 kcal/molDistance: 0.72
C=CCO/C=C(\C)CC
BDE(DFT): 99.5 kcal/molDistance: 0.74
CCc1nccnc1SC
BDE(DFT): 99.2 kcal/molDistance: 0.75
Cc1ccnnc1N(C)C
BDE(DFT): 98.9 kcal/molDistance: 0.80
CCc1ccnc(C)c1C
BDE(DFT): 99.5 kcal/molDistance: 0.81
OCc1ccncc1CO
BDE(DFT): 100.5 kcal/molDistance: 0.83
OCc1ccccc1CO
BDE(DFT): 99.4 kcal/molDistance: 0.83