Geometry & MOs

Info

ID:	52565
PubChem CID:	12015484
Reduced:	KO4C11H15 (1)
Stoich.:	AB4C11D15 (1)
Weight, g/mol:	212.104859
ΔH_f, kcal/mol:	-225.48
Dipole, Da:	14.15
IP(EA), eV:	-7.94(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-2,2-dimethyl-5-(3-methylbut-2-enyl)-1,3-dioxin-4-one

Drug info:

PubChemData

Smile

CC(=CCC1=C(OC(OC1=O)(C)C)[O-])C.[K+]

DOS

IR

Vibrations