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January 28, 2026
C7H15N
Datos Químicos de C7H15N
ID
6897
Molecular Scaffold
eO`BNZ`@
Molecular Formula
C7H15N
Elemental Composition %
C: 30.4347826086957%
H: 65.2173913043478%
O: 0%
N: 4.34782608695652%
Weight
113.203
Programa de Cálculo
G16
SMILES
CCN1C(C)(C)[C@@H]1C
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H15N/c1-5-8-6(2)7(8,3)4/h6H,5H2,1-4H3/t6-,8?/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
CHWCDNZGSPWPAG-XPJFZRNWSA-N