Geometry & MOs

Info

ID:	221431
PubChem CID:	85273690
Reduced:	O3C8H10 (2)
Stoich.:	A3B8C10 (2)
Weight, g/mol:	308.125988
ΔH_f, kcal/mol:	-243.36
Dipole, Da:	6.46
IP(EA), eV:	-9.48(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-methoxy-2-oxo-6-(7-oxohept-1-enyl)pyran-3-yl]methyl acetate

Drug info:

PubChemData

Smile

CC1(CC2C(CO1)C(=O)C3=C(C2O)C=C(C=C3O)OC)OC

DOS

IR

Vibrations