Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H13N
Datos Químicos de C7H13N
ID
5820
Molecular Formula
C7H13N
Elemental Composition %
C: 33.3333333333333%
H: 61.9047619047619%
O: 0%
N: 4.76190476190476%
Weight
111.187
Programa de Cálculo
G16
SMILES
C[C@H](C(C)(C)C)C#N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H13N/c1-6(5-8)7(2,3)4/h6H,1-4H3/t6-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
XNBZBTZXGQNTNY-LURJTMIESA-N