Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H13NO
Datos Químicos de C7H13NO
ID
91921
Molecular Scaffold
dnFH@JAJUbjfjjjL`@
Molecular Formula
C7H13NO
Elemental Composition %
C: 31.8181818181818%
H: 59.0909090909091%
O: 4.54545454545455%
N: 4.54545454545455%
Weight
127.186
Programa de Cálculo
G16
SMILES
C[C@@H]1O[C@H](C)[C@H](C2)N2C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H13NO/c1-5-3-8-4-7(8)6(2)9-5/h5-7H,3-4H2,1-2H3/t5-,6+,7-,8?/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
LFXBKPFPVULZCQ-SZVWITLZSA-N