Geometry & MOs

Info

ID:	9077
PubChem CID:	85839
Reduced:	O2C5H8 (2)
Stoich.:	A2B5C8 (2)
Weight, g/mol:	200.104859
ΔH_f, kcal/mol:	-178.32
Dipole, Da:	4.04
IP(EA), eV:	-11.3(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hexoxy-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

CCCCCCOC(=O)C=CC(=O)O

DOS

IR

Vibrations