Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H9N
Datos Químicos de C7H9N
ID
19618
Molecular Scaffold
dav@@@Ri^aLhj[jjjjHIBRT`@
Molecular Formula
C7H9N
Elemental Composition %
C: 41.1764705882353%
H: 52.9411764705882%
O: 0%
N: 5.88235294117647%
Weight
107.155
Programa de Cálculo
G16
SMILES
C(C1)C11[C@@H](C2)[C@H]3N2[C@@H]13
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10N/c1-2-7(1)4-3-8-5(4)6(7)8/h4-6,8H,1-3H2/t4-,5-,6-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
AQRAACZOGLBYST-ZLUOBGJFSA-N