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January 28, 2026
C6H10N2
Datos Químicos de C6H10N2
ID
8539
Molecular Scaffold
dfE@@@iJ[SDHjjjkHbHd@
Molecular Formula
C6H10N2
Elemental Composition %
C: 33.3333333333333%
H: 55.5555555555556%
O: 0%
N: 11.1111111111111%
Weight
110.159
Programa de Cálculo
G16
SMILES
C[C@@]12N[C@H]3[C@@H]1N(C)[C@@H]23
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H10N2/c1-6-4-3(7-6)5(6)8(4)2/h3-5,7H,1-2H3/t3-,4-,5+,6+
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
KJHSMVVUDJHECD-RJYLNQFNSA-N