Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H10N2O
Datos Químicos de C6H10N2O
ID
62213
Molecular Formula
C6H10N2O
Elemental Composition %
C: 31.5789473684211%
H: 52.6315789473684%
O: 5.26315789473684%
N: 10.5263157894737%
Weight
126.158
Programa de Cálculo
G16
SMILES
C[C@@H](CNCC#N)C=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H10N2O/c1-6(5-9)4-8-3-2-7/h5-6,8H,3-4H2,1H3/t6-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
KWOPCQZDXGRLAW-LURJTMIESA-N