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CCCc1ccccc1C(=O)c1ccccc1

Predicted BDE: 89.1 kcal/mol

Similar DFT-Calculated Bonds

Cc1cc(F)cnc1NN

BDE(DFT): 89.2 kcal/mol
Distance: 0.25

O=CCCc1cnoc1

BDE(DFT): 89.8 kcal/mol
Distance: 0.25

CNCCc1cn[nH]c1

BDE(DFT): 88.9 kcal/mol
Distance: 0.25

NCCc1cnoc1

BDE(DFT): 89.4 kcal/mol
Distance: 0.26

CC(C)C/C(N)=C/C#N

BDE(DFT): 89.5 kcal/mol
Distance: 0.27