Geometry & MOs

Info

ID:	385077
PubChem CID:	134978271
Reduced:	O4C17H28 (1)
Stoich.:	A4B17C28 (1)
Weight, g/mol:	338.209324
ΔH_f, kcal/mol:	-184.14
Dipole, Da:	7.09
IP(EA), eV:	-9.82(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-1-[7-(oxan-2-yloxy)hept-5-ynyl]-2,6,7-trioxabicyclo[2.2.2]octane

Drug info:

PubChemData

Smile

C1CCOC(C1)OCCCCCCCC#CCCC(=O)O

DOS

IR

Vibrations