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NCC(=O)O

In DFT Database

Bond Dissociation Energies (from weakest to strongest)

Bond 1

Bond Type: C-H
BDE(ML): 78.3 kcal/mol
BDFE(ML): 69.8 kcal/mol
BDE(DFT): 78.1 kcal/mol
BDFE(DFT): 69.6 kcal/mol
Neighbors

Bond 2

Bond Type: C-N
BDE(ML): 83.3 kcal/mol
BDFE(ML): 70.8 kcal/mol
BDE(DFT): 83.2 kcal/mol
BDFE(DFT): 70.7 kcal/mol
Neighbors

Bond 3

Bond Type: C-C
BDE(ML): 87.4 kcal/mol
BDFE(ML): 74.1 kcal/mol
BDE(DFT): 87.4 kcal/mol
BDFE(DFT): 74.1 kcal/mol
Neighbors

Bond 4

Bond Type: H-N
BDE(ML): 100.0 kcal/mol
BDFE(ML): 91.5 kcal/mol
BDE(DFT): 99.9 kcal/mol
BDFE(DFT): 91.6 kcal/mol
Neighbors

Bond 5

Bond Type: C-O
BDE(ML): 110.7 kcal/mol
BDFE(ML): 98.8 kcal/mol
Neighbors

Bond 6

Bond Type: H-O
BDE(ML): 112.7 kcal/mol
BDFE(ML): 103.8 kcal/mol
Neighbors