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January 28, 2026
C7H15NO
Datos Químicos de C7H15NO
ID
60465
Molecular Scaffold
eO`BNZ`@
Molecular Formula
C7H15NO
Elemental Composition %
C: 29.1666666666667%
H: 62.5%
O: 4.16666666666667%
N: 4.16666666666667%
Weight
129.202
Programa de Cálculo
G16
SMILES
C[C@H](CCCN1CC1)O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H15NO/c1-7(9)3-2-4-8-5-6-8/h7,9H,2-6H2,1H3/t7-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
YAFVUTKSUDTAQL-SSDOTTSWSA-N