Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C9H14
Datos Químicos de C9H14
ID
78447
Molecular Scaffold
dnd@@DjYqbhfjjjHIBJL`@
Molecular Formula
C9H14
Elemental Composition %
C: 39.1304347826087%
H: 60.8695652173913%
O: 0%
N: 0%
Weight
122.21
Programa de Cálculo
G16
SMILES
C[C@H]1[C@@H]2[C@@H](C3)[C@@H](C)[C@@H]3[C@@H]12
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C9H14/c1-4-6-3-7(4)9-5(2)8(6)9/h4-9H,3H2,1-2H3/t4-,5-,6+,7-,8-,9+
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
PFXJXZGEUURUCR-CGLDZIKFSA-N