Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H8N2
Datos Químicos de C5H8N2
ID
844
Molecular Scaffold
gKT@AdiVf@@
Molecular Formula
C5H8N2
Elemental Composition %
C: 33.3333333333333%
H: 53.3333333333333%
O: 0%
N: 13.3333333333333%
Weight
96.1325
Programa de Cálculo
G16
SMILES
Cc1c[nH]c(C)n1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H8N2/c1-4-3-6-5(2)7-4/h3H,1-2H3,(H,6,7)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
LLPKQRMDOFYSGZ-UHFFFAOYSA-N