Geometry & MOs

Info

ID:	9478
PubChem CID:	89833
Reduced:	O6C11H14 (1)
Stoich.:	A6B11C14 (1)
Weight, g/mol:	242.079038
ΔH_f, kcal/mol:	-234.92
Dipole, Da:	3.92
IP(EA), eV:	-10.87(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(2-methylprop-2-enoyloxy)propan-2-yloxy]-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

CC(COC(=O)C(=C)C)OC(=O)C=CC(=O)O

DOS

IR

Vibrations