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January 28, 2026
C7H10N2
Datos Químicos de C7H10N2
ID
37243
Molecular Scaffold
diM@@@yJf^RlJfxZjjjjBQDaRd@
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([C@H]12)[C@H]2N(C2)[C@H]1[C@@]21NC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11N2/c1-4-5(1)9-3-7(2-8-7)6(4)9/h4-6,8-9H,1-3H2/t4-,5-,6+,7+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
YZXQVOZTOVKDIF-VWDOSNQTSA-N