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January 28, 2026
C7H15N
Datos Químicos de C7H15N
ID
15829
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
CCC[C@@H](C)N1CC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H15N/c1-3-4-7(2)8-5-6-8/h7H,3-6H2,1-2H3/t7-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
BCOPEHCVRGBNBQ-SSDOTTSWSA-N