Geometry & MOs

Info

ID:	52561
PubChem CID:	12015479
Reduced:	O2C6H7 (4)
Stoich.:	A2B6C7 (4)
Weight, g/mol:	222.02944
ΔH_f, kcal/mol:	-267.46
Dipole, Da:	1.49
IP(EA), eV:	-10.38(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

potassium;2,2-dimethyl-6-oxo-5-prop-2-enyl-1,3-dioxin-4-olate

Drug info:

PubChemData

Smile

CC1(OC(=O)C2(CC3CC34C2(C56C4(C7(CC5C6)C(=O)OC(OC7=O)(C)C)C)C)C(=O)O1)C

DOS

IR

Vibrations