Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H9N3
Datos Químicos de C5H9N3
ID
11513
Molecular Scaffold
eO`BNZ`@
Molecular Formula
C5H9N3
Elemental Composition %
C: 29.4117647058824%
H: 52.9411764705882%
O: 0%
N: 17.6470588235294%
Weight
111.147
Programa de Cálculo
G16
SMILES
N[C@@H](C[C@@H]1NC1)C#N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H9N3/c6-2-4(7)1-5-3-8-5/h4-5,8H,1,3,7H2/t4-,5-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
WHKIULLZSFUSCB-WHFBIAKZSA-N