BDE Estimator

CC(N)C(=O)O

Predicted BDE: 101.2 kcal/mol

Similar DFT-Calculated Bonds

C=Cc1nccn1CC

BDE(DFT): 100.8 kcal/mol
Distance: 0.04

CCn1cccc1/C=N/O

BDE(DFT): 101.2 kcal/mol
Distance: 0.05

CCn1cccc1C=O

BDE(DFT): 101.5 kcal/mol
Distance: 0.05

CCn1ccn(C)c1=N

BDE(DFT): 101.2 kcal/mol
Distance: 0.05