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January 28, 2026
C3H6N2
Datos Químicos de C3H6N2
ID
65
Molecular Formula
C3H6N2
Elemental Composition %
C: 27.2727272727273%
H: 54.5454545454545%
O: 0%
N: 18.1818181818182%
Weight
70.0946
Programa de Cálculo
G16
SMILES
C[C@H](C#N)N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H6N2/c1-3(5)2-4/h3H,5H2,1H3/t3-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
UAMZETBJZRERCQ-GSVOUGTGSA-N