Geometry & MOs

Info

ID:	329051
PubChem CID:	126730777
Reduced:	O4C13H26 (1)
Stoich.:	A4B13C26 (1)
Weight, g/mol:	286.214409
ΔH_f, kcal/mol:	-230.18
Dipole, Da:	3.77
IP(EA), eV:	-10.43(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octyl 2,2,5-trimethyl-1,3-dioxane-5-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCOC(=O)C(C)(CO)CO

DOS

IR

Vibrations