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January 28, 2026
C7H8N2
Datos Químicos de C7H8N2
ID
28283
Molecular Scaffold
daU@@@iJegFJfzijjqEbZ@aDrd@
Molecular Formula
C7H8N2
Elemental Composition %
C: 41.1764705882353%
H: 47.0588235294118%
O: 0%
N: 11.7647058823529%
Weight
120.155
Programa de Cálculo
G16
SMILES
CC1=CN([C@@H]2[C@H]3C2)[C@@]3[N]1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10N2/c1-4-3-9-6-2-5(6)7(9)8-4/h3,5-8H,2H2,1H3/t5-,6-,7+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
JAKFIYTUSPBSSH-QYNIQEEDSA-N