Geometry & MOs

Info

ID:	411549
PubChem CID:	135084381
Reduced:	OC14H28 (1)
Stoich.:	AB14C28 (1)
Weight, g/mol:	242.115424
ΔH_f, kcal/mol:	-90.05
Dipole, Da:	1.54
IP(EA), eV:	-9.78(2.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(E)-6-hydroxyhex-4-enyl]-2,2-dimethyl-1,3-dioxane-4,6-dione

Drug info:

PubChemData

Smile

CCCCCCCCCCC1CC1(C)O

DOS

IR

Vibrations