Geometry & MOs

Info

ID:	52564
PubChem CID:	12015482
Reduced:	KO4C15H15 (1)
Stoich.:	AB4C15D15 (1)
Weight, g/mol:	250.06074
ΔH_f, kcal/mol:	-185.16
Dipole, Da:	15.19
IP(EA), eV:	-8.22(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

potassium;2,2-dimethyl-5-(3-methylbut-2-enyl)-6-oxo-1,3-dioxin-4-olate

Drug info:

PubChemData

Smile

CC1(OC(=C(C(=O)O1)C/C=C/C2=CC=CC=C2)[O-])C.[K+]

DOS

IR

Vibrations