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January 28, 2026
C4H9N3
Datos Químicos de C4H9N3
ID
1619
Molecular Formula
C4H9N3
Elemental Composition %
C: 25%
H: 56.25%
O: 0%
N: 18.75%
Weight
99.1365
Programa de Cálculo
G16
SMILES
C[C@H]([C@H](C#N)N)N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H9N3/c1-3(6)4(7)2-5/h3-4H,6-7H2,1H3/t3-,4+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
GUOWFEGDVXYFFE-DMTCNVIQSA-N