Geometry & MOs

Info

ID:	407588
PubChem CID:	135080336
Reduced:	PO4C11H15 (1)
Stoich.:	AB4C11D15 (1)
Weight, g/mol:	180.11503
ΔH_f, kcal/mol:	-206.0
Dipole, Da:	4.92
IP(EA), eV:	-10.14(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,8-diethyl-2-oxabicyclo[2.2.2]oct-5-en-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P(=O)(CCCCC(=O)O)O

DOS

IR

Vibrations