Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H13N
Datos Químicos de C8H13N
ID
62628
Molecular Scaffold
dfF@@@RiXSBJjjjpIBR@@
Molecular Formula
C8H13N
Elemental Composition %
C: 36.3636363636364%
H: 59.0909090909091%
O: 0%
N: 4.54545454545455%
Weight
123.198
Programa de Cálculo
G16
SMILES
CC1(C)N2[C@H]3[C@]1(C)C[C@@H]23
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H14N/c1-7(2)8(3)4-5-6(8)9(5)7/h5-6,9H,4H2,1-3H3/t5-,6+,8-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
GSDWMOIRTRFPRL-BBVRLYRLSA-N