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January 28, 2026
C7H10N2
Datos Químicos de C7H10N2
ID
28449
Molecular Scaffold
gFt@ATiTt@@@
Molecular Formula
C7H10N2
Elemental Composition %
C: 36.8421052631579%
H: 52.6315789473684%
O: 0%
N: 10.5263157894737%
Weight
122.17
Programa de Cálculo
G16
SMILES
Cc1cnc(C)c(C)n1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10N2/c1-5-4-8-6(2)7(3)9-5/h4H,1-3H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
IAEGWXHKWJGQAZ-UHFFFAOYSA-N