Geometry & MOs

Info

ID:	222216
PubChem CID:	85295269
Reduced:	O3C13H22 (1)
Stoich.:	A3B13C22 (1)
Weight, g/mol:	228.063388
ΔH_f, kcal/mol:	-156.88
Dipole, Da:	2.15
IP(EA), eV:	-10.02(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-ethoxycarbonylprop-2-enoxy)-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

CC(CCC1C(=CC(=O)CC1(C)C)CO)O

DOS

IR

Vibrations