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January 28, 2026
C7H10N2
Datos Químicos de C7H10N2
ID
40419
Molecular Scaffold
diu@@@{IHhcHpfxZjjfpEBi@@
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[C@H]1[C@]1(C2)N2CC=C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11N2/c1-2-7(6-4-8-6)5-9(7)3-1/h1-2,6,8-9H,3-5H2/t6-,7+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
TWUMCEXDUSXDLQ-RQJHMYQMSA-N