Geometry & MOs

Info

ID:	297016
PubChem CID:	117605961
Reduced:	O5C11H12 (1)
Stoich.:	A5B11C12 (1)
Weight, g/mol:	304.079432
ΔH_f, kcal/mol:	-136.39
Dipole, Da:	5.23
IP(EA), eV:	-10.5(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexa-2,4-dienoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid

Drug info:

PubChemData

Smile

C1CC(=C1C=C(CC2CO2)C(=O)O)C(=O)O

DOS

IR

Vibrations