Geometry & MOs

Info

ID:	160529
PubChem CID:	57309877
Reduced:	P3C6O13H15 (1)
Stoich.:	A3B6C13D15 (1)
Weight, g/mol:	296.162374
ΔH_f, kcal/mol:	-790.16
Dipole, Da:	7.19
IP(EA), eV:	-10.6(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-hydroxy-2-oxooxan-4-yl)propyl octa-2,4-dienoate

Drug info:

PubChemData

Smile

C1CC(C(C(C1)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O

DOS

IR

Vibrations