Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H8N2
Datos Químicos de C5H8N2
ID
3588
Molecular Scaffold
dne@@@iJUhPfijjjbbHlSP@
Molecular Formula
C5H8N2
Elemental Composition %
C: 33.3333333333333%
H: 53.3333333333333%
O: 0%
N: 13.3333333333333%
Weight
96.1325
Programa de Cálculo
G16
SMILES
C1[C@@H]2N[C@@H]2[C@@H]2N[C@@H]12
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H8N2/c1-2-4(6-2)5-3(1)7-5/h2-7H,1H2/t2-,3-,4-,5-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
UQECZXLIUOGCRC-TXICZTDVSA-N