Geometry & MOs

Info

ID:	10525
PubChem CID:	103811
Reduced:	O3C8H12 (2)
Stoich.:	A3B8C12 (2)
Weight, g/mol:	312.157288
ΔH_f, kcal/mol:	-210.97
Dipole, Da:	5.86
IP(EA), eV:	-9.7(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2,2-bis(prop-2-enoxymethyl)butoxy]-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

CCC(COCC=C)(COCC=C)COC(=O)C=CC(=O)O

DOS

IR

Vibrations