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January 28, 2026
C6H12N2
Datos Químicos de C6H12N2
ID
20024
Molecular Scaffold
gGt@@TizHvjjTfP@
Molecular Formula
C6H12N2
Elemental Composition %
C: 30%
H: 60%
O: 0%
N: 10%
Weight
112.175
Programa de Cálculo
G16
SMILES
CCN(C1)[C@@H]1[C@@H]1NC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H12N2/c1-2-8-4-6(8)5-3-7-5/h5-7H,2-4H2,1H3/t5-,6-,8?/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
ZWEANVVYILAELU-LPBDRPKESA-N