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January 28, 2026
C5H10N2
Datos Químicos de C5H10N2
ID
1544
Molecular Formula
C5H10N2
Elemental Composition %
C: 29.4117647058824%
H: 58.8235294117647%
O: 0%
N: 11.7647058823529%
Weight
98.1484
Programa de Cálculo
G16
SMILES
CCN[C@@H](C)C#N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H10N2/c1-3-7-5(2)4-6/h5,7H,3H2,1-2H3/t5-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
NDVZMKCMHIWQGQ-YFKPBYRVSA-N