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January 28, 2026
C6H8N2
Datos Químicos de C6H8N2
ID
19093
Molecular Scaffold
dau@@@yJf]Brjynjjji`dIHRj]@@
Molecular Formula
C6H8N2
Elemental Composition %
C: 37.5%
H: 50%
O: 0%
N: 12.5%
Weight
108.144
Programa de Cálculo
G16
SMILES
C1N([C@@H]2C3)[C@@H]4[C@H]2N3[C@H]14
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H10N2/c1-3-5-6-4(7(1)5)2-8(3)6/h3-8H,1-2H2/t3-,4+,5+,6-
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
DAHXCUMPBHQZMI-GUCUJZIJSA-N