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January 28, 2026
C5H10N2O
Datos Químicos de C5H10N2O
ID
4038
Molecular Scaffold
eO`BNZ`@
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
C[C@@]1(/C(/C)=N/O)NC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H10N2O/c1-4(7-8)5(2)3-6-5/h6,8H,3H2,1-2H3/t5-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
UXEIBDHEDXINIF-RXMQYKEDSA-N