Geometry & MOs

Info

ID:	3987
PubChem CID:	10545
Reduced:	OC5H8 (2)
Stoich.:	AB5C8 (2)
Weight, g/mol:	168.11503
ΔH_f, kcal/mol:	-23.31
Dipole, Da:	3.05
IP(EA), eV:	-8.6(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-propan-2-yl-2,3-dioxabicyclo[2.2.2]oct-5-ene

Drug info:

PubChemData

Smile

CC(C)C12CCC(C=C1)(OO2)C

DOS

IR

Vibrations