Skip to main content
Draw

NCC(=O)O

Predicted BDE: 78.3 kcal/mol

Similar DFT-Calculated Bonds

NCC(=O)O

BDE(DFT): 78.1 kcal/mol
Distance: 0.00

O=C1CNCCO1

BDE(DFT): 77.5 kcal/mol
Distance: 0.49

CN1CCCN=C1CN

BDE(DFT): 77.7 kcal/mol
Distance: 0.52

C=C[C@H](O)[C@H](O)C=C

BDE(DFT): 78.5 kcal/mol
Distance: 0.58

C=C[C@H](O)[C@H](O)C=C

BDE(DFT): 78.5 kcal/mol
Distance: 0.58

NCCNCC(=O)O

BDE(DFT): 78.3 kcal/mol
Distance: 0.60