June 16, 2025
C4H10
C4H10
ID
39
Molecular Formula
C4H10
Elemental Composition %
C: 28.5714285714286%
H: 71.4285714285714%
O: 0%
N: 0%
Weight
58.1234
Programa de Cálculo
G16
SMILES
CCCC
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
IJDNQMDRQITEOD-UHFFFAOYSA-N