Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H13N
Datos Químicos de C8H13N
ID
106700
Molecular Scaffold
dfF@@@RiXqBJjjjPEB@
Molecular Formula
C8H13N
Elemental Composition %
C: 36.3636363636364%
H: 59.0909090909091%
O: 0%
N: 4.54545454545455%
Weight
123.198
Programa de Cálculo
G16
SMILES
CC[C@]12N(C3)[C@H]3[C@@]1(C)C2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H14N/c1-3-8-5-7(8,2)6-4-9(6)8/h6,9H,3-5H2,1-2H3/t6-,7-,8-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
WWKLTRRPZOTVSQ-BWZBUEFSSA-N