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January 28, 2026
C7H12N2
Datos Químicos de C7H12N2
ID
90262
Molecular Scaffold
daU@@@{IHiBaXu]UUUXDbE@@
Molecular Formula
C7H12N2
Elemental Composition %
C: 33.3333333333333%
H: 57.1428571428571%
O: 0%
N: 9.52380952380952%
Weight
124.186
Programa de Cálculo
G16
SMILES
CN(C1)[C@H]2[C@]1(CC1)N1C2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H13N2/c1-8-5-7-2-3-9(7)4-6(7)8/h6,9H,2-5H2,1H3/t6-,7+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
CWYICPJKGUEBGO-NKWVEPMBSA-N