CCCc1ccccc1C(=O)c1ccccc1
Predicted BDE: 100.0 kcal/mol
Similar DFT-Calculated Bonds
CCCc1cccnc1C
BDE(DFT): 100.2 kcal/molDistance: 0.00
CCCc1cnccc1C
BDE(DFT): 100.2 kcal/molDistance: 0.00
CCCc1cncnc1C
BDE(DFT): 100.3 kcal/molDistance: 0.00
CCCc1cncnc1Cl
BDE(DFT): 99.8 kcal/molDistance: 0.00