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January 28, 2026
C7H8N2
Datos Químicos de C7H8N2
ID
39909
Molecular Scaffold
diM@@@KIHhkDsJInFjjjh`TQIbABQaH
Molecular Formula
C7H8N2
Elemental Composition %
C: 41.1764705882353%
H: 47.0588235294118%
O: 0%
N: 11.7647058823529%
Weight
120.155
Programa de Cálculo
G16
SMILES
C(C1)C11[N][C@@]2N3[C@H]1[C@@H]3C2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11N2/c1-2-7(1)6-4-3-5(8-7)9(4)6/h4-6,8-9H,1-3H2/t4-,5+,6+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
KAULLOPBBMHQDV-KVQBGUIXSA-N