Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H13N
Datos Químicos de C8H13N
ID
77378
Molecular Scaffold
dfF@@@RiXSBJjjjPIB@
Molecular Formula
C8H13N
Elemental Composition %
C: 36.3636363636364%
H: 59.0909090909091%
O: 0%
N: 4.54545454545455%
Weight
123.198
Programa de Cálculo
G16
SMILES
C[C@@H]1[C@](C)(C2)[C@@H]3N2[C@]13C
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H14N/c1-5-7(2)4-9-6(7)8(5,9)3/h5-6,9H,4H2,1-3H3/t5-,6+,7-,8+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
JJXQPUOXADWION-FKSUSPILSA-N