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CCCc1ccccc1C(=O)c1ccccc1

Predicted BDE: 110.4 kcal/mol

Similar DFT-Calculated Bonds

CC(=N)c1ccccc1

BDE(DFT): 111.0 kcal/mol
Distance: 0.12

Cc1ccccc1N(C)N

BDE(DFT): 110.5 kcal/mol
Distance: 0.13

C=C(C)c1ccccc1O

BDE(DFT): 110.0 kcal/mol
Distance: 0.14

C/C=C/c1ccccc1N

BDE(DFT): 110.4 kcal/mol
Distance: 0.14

COc1ccc(O)cc1N

BDE(DFT): 110.5 kcal/mol
Distance: 0.15

CCc1ccc(N)c(C)c1

BDE(DFT): 110.5 kcal/mol
Distance: 0.15

CN(C)c1ccccc1N

BDE(DFT): 110.0 kcal/mol
Distance: 0.16

Cc1ccc(N)cc1C

BDE(DFT): 110.4 kcal/mol
Distance: 0.16

Cc1ccc(CN)c(C)c1

BDE(DFT): 110.5 kcal/mol
Distance: 0.16