Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H11N
Datos Químicos de C8H11N
ID
38473
Molecular Scaffold
diN@@@RigdpfkjFjjjj`TQHTi@@
Molecular Formula
C8H11N
Elemental Composition %
C: 40%
H: 55%
O: 0%
N: 5%
Weight
121.182
Programa de Cálculo
G16
SMILES
C1N2[C@H]([C@H](C3)C4)[C@]34C[C@@H]12
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H12N/c1-5-2-8(1)3-6-4-9(6)7(5)8/h5-7,9H,1-4H2/t5?,6-,7+,8?/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
FEHVRSPEXQNRGR-NUIXCIIXSA-N