BDE Estimator

CC1=CC2C(CC1)C(C)CCC2C(C)C(=O)O

Predicted BDE: 99.3 kcal/mol

Similar DFT-Calculated Bonds

CCCC[C@@H](CC)CS

BDE(DFT): 99.3 kcal/mol
Distance: 0.04

CC[C@@H]1CNCC[C@@H]1C

BDE(DFT): 99.3 kcal/mol
Distance: 0.04

CC[C@@H](C)[C@@H](C)NCCF

BDE(DFT): 99.3 kcal/mol
Distance: 0.04

CC[C@@H](CSC)CC(F)F

BDE(DFT): 99.5 kcal/mol
Distance: 0.04