Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H13N
Datos Químicos de C8H13N
ID
110390
Molecular Scaffold
dfF@@@RftqBJjjjJHbrD`@
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@H]1[C@H]2[C@@H]3N(C)[C@H]2[C@@H]13
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H13N/c1-3-4-5-7-6(4)8(5)9(7)2/h4-8H,3H2,1-2H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
PIQFJPQCSBNMFF-UHFFFAOYSA-N