Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H13NO
Datos Químicos de C7H13NO
ID
120271
Molecular Scaffold
gJx@@eSLcUT`h`@
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]1[C@H](COC)N2[C@@H]1C2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H14NO/c1-5-6-3-8(6)7(5)4-9-2/h5-8H,3-4H2,1-2H3/t5-,6-,7+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
AVWYFQFFXFNJFR-QYNIQEEDSA-N