Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H15NO
Datos Químicos de C7H15NO
ID
100723
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
CC[C@@H](C)N(C)C(C)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H15NO/c1-5-6(2)8(4)7(3)9/h6H,5H2,1-4H3/t6-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
TVHBLDSNZWUXEE-ZCFIWIBFSA-N