Geometry & MOs

Info

ID:	22444
PubChem CID:	597201
Reduced:	OC3H4 (4)
Stoich.:	AB3C4 (4)
Weight, g/mol:	224.104859
ΔH_f, kcal/mol:	-189.88
Dipole, Da:	4.03
IP(EA), eV:	-10.86(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclohexylidene-2,2-dimethyl-1,3-dioxane-4,6-dione

Drug info:

PubChemData

Smile

CC1(OC(=O)C(=C2CCCCC2)C(=O)O1)C

DOS

IR

Vibrations