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January 28, 2026
C6H12N2
Datos Químicos de C6H12N2
ID
20018
Molecular Scaffold
gGt@@TizHvjjTVP@
Molecular Formula
C6H12N2
Elemental Composition %
C: 30%
H: 60%
O: 0%
N: 10%
Weight
112.175
Programa de Cálculo
G16
SMILES
CC[C@H]1N[C@H]1[C@@H]1NC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H12N2/c1-2-4-6(8-4)5-3-7-5/h4-8H,2-3H2,1H3/t4-,5+,6-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
APNORKQSMDNPGM-JKUQZMGJSA-N