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January 28, 2026
C7H10N2
Datos Químicos de C7H10N2
ID
38587
Molecular Scaffold
diM@@@{IHhTdKB[nFjjjj`dHdrz@@
Molecular Formula
C7H10N2
Elemental Composition %
C: 36.8421052631579%
H: 52.6315789473684%
O: 0%
N: 10.5263157894737%
Weight
122.17
Programa de Cálculo
G16
SMILES
C1N(C2)[C@H]1[C@]1(C3)[C@H]2N3C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11N2/c1-5-7-3-9(4-7)6(7)2-8(1)5/h5-6,8H,1-4H2/t5-,6-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
RYPWLFUQIXWEOR-WDSKDSINSA-N