Geometry & MOs

Info

ID:	52563
PubChem CID:	12015481
Reduced:	O4C9H12 (1)
Stoich.:	A4B9C12 (1)
Weight, g/mol:	298.06074
ΔH_f, kcal/mol:	-161.63
Dipole, Da:	5.52
IP(EA), eV:	-9.73(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

potassium;2,2-dimethyl-6-oxo-5-[(E)-3-phenylprop-2-enyl]-1,3-dioxin-4-olate

Drug info:

PubChemData

Smile

CC1(OC(=C(C(=O)O1)CC=C)O)C

DOS

IR

Vibrations