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CCCc1ccccc1C(=O)c1ccccc1

Predicted BDE: 89.5 kcal/mol

Similar DFT-Calculated Bonds

CCCc1ccccc1Br

BDE(DFT): 89.6 kcal/mol
Distance: 0.00

CCC[C@H](C#N)CC(C)=O

BDE(DFT): 89.1 kcal/mol
Distance: 0.08

CCCc1cnc(N)cn1

BDE(DFT): 89.4 kcal/mol
Distance: 0.08

CCCC/C(C)=N/O

BDE(DFT): 89.7 kcal/mol
Distance: 0.08

CCCC/C(C)=N/N

BDE(DFT): 89.7 kcal/mol
Distance: 0.08

CCCc1ccnc(Cl)n1

BDE(DFT): 89.4 kcal/mol
Distance: 0.08

CCCCC(=N)C(C)C

BDE(DFT): 89.9 kcal/mol
Distance: 0.08

CCCCC(N)=O

BDE(DFT): 89.2 kcal/mol
Distance: 0.09

CCCC1=NNC(S)=NN1

BDE(DFT): 89.7 kcal/mol
Distance: 0.09

CCCCC(=O)C(C)(C)C

BDE(DFT): 89.7 kcal/mol
Distance: 0.10