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January 28, 2026
C6H9N
Datos Químicos de C6H9N
ID
3573
Molecular Scaffold
dfF@@@RiXqBJjjjHIDRD`@
Molecular Formula
C6H9N
Elemental Composition %
C: 37.5%
H: 56.25%
O: 0%
N: 6.25%
Weight
95.1445
Programa de Cálculo
G16
SMILES
C[C@@H]1N2[C@@H]1[C@@H]1[C@H]2C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H10N/c1-3-6-4-2-5(4)7(3)6/h3-7H,2H2,1H3/t3-,4+,5+,6-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
DZXQAOMZHVRBLO-DPYQTVNSSA-N