Geometry & MOs

Info

ID:	387747
PubChem CID:	134986697
Reduced:	O4C13H14 (1)
Stoich.:	A4B13C14 (1)
Weight, g/mol:	242.22458
ΔH_f, kcal/mol:	-146.96
Dipole, Da:	6.68
IP(EA), eV:	-9.51(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,6,6,9,9-hexamethyl-1,3-dioxacycloundecane

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=O)OC23CCCCO3

DOS

IR

Vibrations