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CCCc1ccccc1C(=O)c1ccccc1

Predicted BDE: 97.0 kcal/mol

Similar DFT-Calculated Bonds

CCCc1ccccc1Br

BDE(DFT): 96.9 kcal/mol
Distance: 0.00

CCC[C@@H]1CCC(NN)=N1

BDE(DFT): 97.1 kcal/mol
Distance: 0.04

CCCc1cc(Cl)ncn1

BDE(DFT): 97.0 kcal/mol
Distance: 0.04

CCCc1cc(=S)[nH]cn1

BDE(DFT): 98.1 kcal/mol
Distance: 0.04

CCCc1cc(N)ccn1

BDE(DFT): 97.0 kcal/mol
Distance: 0.04