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January 28, 2026
C7H16
Datos Químicos de C7H16
ID
1570
Molecular Formula
C7H16
Elemental Composition %
C: 30.4347826086957%
H: 69.5652173913043%
O: 0%
N: 0%
Weight
100.204
Programa de Cálculo
G16
SMILES
CCC[C@@H](C)CC
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3/t7-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
VLJXXKKOSFGPHI-ZETCQYMHSA-N