Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H10N2
Datos Químicos de C6H10N2
ID
9927
Molecular Scaffold
eO@Hyj@
Molecular Formula
C6H10N2
Elemental Composition %
C: 33.3333333333333%
H: 55.5555555555556%
O: 0%
N: 11.1111111111111%
Weight
110.159
Programa de Cálculo
G16
SMILES
C[C@H]([C@@H]1C)[C@@]1(C#N)N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H10N2/c1-4-5(2)6(4,8)3-7/h4-5H,8H2,1-2H3/t4-,5+,6+
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
LSRQPCAJXTUNBW-FMCRUOTFSA-N