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January 28, 2026
C4H8N2
Datos Químicos de C4H8N2
ID
376
Molecular Formula
C4H8N2
Elemental Composition %
C: 28.5714285714286%
H: 57.1428571428571%
O: 0%
N: 14.2857142857143%
Weight
84.1215
Programa de Cálculo
G16
SMILES
C[C@@H](C#N)NC
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H8N2/c1-4(3-5)6-2/h4,6H,1-2H3/t4-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
MTKGPLGETVCLCF-BYPYZUCNSA-N