Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C9H14
Datos Químicos de C9H14
ID
39621
Molecular Scaffold
diT@@DjYVa[fjjh@@
Molecular Formula
C9H14
Elemental Composition %
C: 39.1304347826087%
H: 60.8695652173913%
O: 0%
N: 0%
Weight
122.21
Programa de Cálculo
G16
SMILES
C(C1)CC1=C1CCCC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C9H14/c1-2-5-8(4-1)9-6-3-7-9/h1-7H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
VAVLERLMKVITFW-UHFFFAOYSA-N