Geometry & MOs

Info

ID:	215999
PubChem CID:	85085559
Reduced:	O4C11H14 (1)
Stoich.:	A4B11C14 (1)
Weight, g/mol:	210.089209
ΔH_f, kcal/mol:	-149.12
Dipole, Da:	5.05
IP(EA), eV:	-10.2(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(hydroxymethyl)-4-methoxy-3-methyl-6-prop-1-enylpyran-2-one

Drug info:

PubChemData

Smile

CC12C(CCC1=CC(=O)OC2C=O)OC

DOS

IR

Vibrations