Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H15N
Datos Químicos de C8H15N
ID
120752
Molecular Scaffold
gGx@@eSKFuUP@
Molecular Formula
C8H15N
Elemental Composition %
C: 33.3333333333333%
H: 62.5%
O: 0%
N: 4.16666666666667%
Weight
125.214
Programa de Cálculo
G16
SMILES
CCC[C@@H](C1)[C@@H]1N1CC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H15N/c1-2-3-7-6-8(7)9-4-5-9/h7-8H,2-6H2,1H3/t7-,8-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
YOXNTNGCUYSAMK-HTQZYQBOSA-N