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January 28, 2026
C5H10N2O2
Datos Químicos de C5H10N2O2
ID
116403
Molecular Scaffold
gOx`LJeL}]MT@@
Molecular Formula
C5H10N2O2
Elemental Composition %
C: 26.3157894736842%
H: 52.6315789473684%
O: 10.5263157894737%
N: 10.5263157894737%
Weight
130.146
Programa de Cálculo
G16
SMILES
CN[C@@H](COCO1)C1=N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H10N2O2/c1-7-4-2-8-3-9-5(4)6/h4,6-7H,2-3H2,1H3/t4-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
QTRBQPBZKFMAJN-BYPYZUCNSA-N