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January 28, 2026
C7H10N2
Datos Químicos de C7H10N2
ID
40609
Molecular Scaffold
diM@@@GIHhTdpj[nFjjjjhQRdty@@
Molecular Formula
C7H10N2
Elemental Composition %
C: 36.8421052631579%
H: 52.6315789473684%
O: 0%
N: 10.5263157894737%
Weight
122.17
Programa de Cálculo
G16
SMILES
C(C1)N1[C@@H]1[C@@H]2[C@@H]3N[C@@H]3[C@H]12
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10N2/c1-2-9(1)7-3-4(7)6-5(3)8-6/h3-8H,1-2H2/t3-,4+,5-,6-,7-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
LJKQWVWMUWLEMP-IECVIRLLSA-N