Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H13N
Datos Químicos de C8H13N
ID
111331
Molecular Scaffold
dnf@@@rRHrLPjZjji@dP@
Molecular Formula
C8H13N
Elemental Composition %
C: 36.3636363636364%
H: 59.0909090909091%
O: 0%
N: 4.54545454545455%
Weight
123.198
Programa de Cálculo
G16
SMILES
CC[C@H]1N(C2)[C@@H]2C11CC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H14N/c1-2-6-8(3-4-8)7-5-9(6)7/h6-7,9H,2-5H2,1H3/t6-,7+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
JECZWCVHBIYLBT-RQJHMYQMSA-N