CCCc1ccccc1C(=O)c1ccccc1
Predicted BDE: 111.2 kcal/mol
Similar DFT-Calculated Bonds
C=Cc1ccccc1CS
BDE(DFT): 111.3 kcal/molDistance: 0.02
C=CC(=O)c1ccccc1
BDE(DFT): 111.2 kcal/molDistance: 0.02
S=C(S)c1ccccc1
BDE(DFT): 111.4 kcal/molDistance: 0.02
C#Cc1ccccc1CN
BDE(DFT): 111.4 kcal/molDistance: 0.03
C1=NCc2ccccc21
BDE(DFT): 111.2 kcal/molDistance: 0.03
c1ccc2c(c1)COC2
BDE(DFT): 111.4 kcal/molDistance: 0.03
C1=NNCc2ccccc21
BDE(DFT): 111.3 kcal/molDistance: 0.03