Geometry & MOs

Info

ID:	21244
PubChem CID:	587767
Reduced:	O3C10H14 (1)
Stoich.:	A3B10C14 (1)
Weight, g/mol:	182.094294
ΔH_f, kcal/mol:	-105.34
Dipole, Da:	3.52
IP(EA), eV:	-9.47(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dimethoxybicyclo[2.2.2]oct-5-en-2-one

Drug info:

PubChemData

Smile

COC12CCC(C=C1)(C(=O)C2)OC

DOS

IR

Vibrations