Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H9N
Datos Químicos de C8H9N
ID
37670
Molecular Scaffold
din@@@RiVxPjIf{ajjjjaAQDVPiRZ]@@
Molecular Formula
C8H9N
Elemental Composition %
C: 44.4444444444444%
H: 50%
O: 0%
N: 5.55555555555556%
Weight
119.166
Programa de Cálculo
G16
SMILES
C([C@H]1[C@@H]2[C@@H]11)[C@H]3[C@@H]1[C@H]1N2[C@@H]13
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H10N/c1-2-4-5-3(1)7-8(5)9(7)6(2)4/h2-9H,1H2/t2-,3-,4-,5+,6-,7-,8+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
NRARADGGCOLPJE-AXBJSVIMSA-N