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January 28, 2026
C4H7N3
Datos Químicos de C4H7N3
ID
3683
Molecular Scaffold
gK@AbeKbuPC~Dlr@
Molecular Formula
C4H7N3
Elemental Composition %
C: 28.5714285714286%
H: 50%
O: 0%
N: 21.4285714285714%
Weight
97.1206
Programa de Cálculo
G16
SMILES
C[C@]1N=C(C)[N]N1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H9N3/c1-3-5-4(2)7-6-3/h3,6H,1-2H3,(H,5,7)/t3-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
HHSPELYQROCRAK-VKHMYHEASA-N