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January 28, 2026
C6H10N2
Datos Químicos de C6H10N2
ID
17403
Molecular Scaffold
dne@@@iJUhSBijjjlaIL`@
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@H]1N[C@@]11[C@@H]2N[C@@H]2C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H10N2/c1-3-6(8-3)2-4-5(6)7-4/h3-5,7-8H,2H2,1H3/t3-,4+,5+,6-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
ZGRMTLDABODFAX-KCDKBNATSA-N