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January 28, 2026
C7H10N2
Datos Químicos de C7H10N2
ID
72184
Molecular Scaffold
dau@@@yJf_Bijynjjjj`TJhrz@@
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@@]1(C2)N3[C@H]4[C@@H]1N2C[C@H]34
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H12N2/c1-7-3-8-2-4-5(6(7)8)9(4)7/h4-6,8-9H,2-3H2,1H3/t4-,5-,6+,7+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
LAXKNHQCVJPEEE-JWXFUTCRSA-N