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January 28, 2026
C7H10N2
Datos Químicos de C7H10N2
ID
38480
Molecular Scaffold
diM@@@{IHhUDKBX^Fjjjj`dPeRF@@
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]3[C@]12C[C@H]1N[C@@H]13
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10N2/c1-4-5(8-4)6-7(1)2-9(6)3-7/h4-6,8H,1-3H2/t4-,5-,6-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
ACSJVVCOSWSNCR-HSUXUTPPSA-N