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January 28, 2026
C5H10N2O
Datos Químicos de C5H10N2O
ID
13104
Molecular Scaffold
gKY@LDidZZ@@
Molecular Formula
C5H10N2O
Elemental Composition %
C: 27.7777777777778%
H: 55.5555555555556%
O: 5.55555555555556%
N: 11.1111111111111%
Weight
114.147
Programa de Cálculo
G16
SMILES
CC/N=C1OC[C@H]1N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H10N2O/c1-2-7-5-4(6)3-8-5/h4H,2-3,6H2,1H3/t4-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
TUEQBYIOBAKJJI-BYPYZUCNSA-N