Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H9N3
Datos Químicos de C5H9N3
ID
10544
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
CNC[C@]1(C#N)NC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H9N3/c1-7-3-5(2-6)4-8-5/h7-8H,3-4H2,1H3/t5-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
OHPXXHPMZVTHPF-YFKPBYRVSA-N