Geometry & MOs

Info

ID:	313327
PubChem CID:	126613865
Reduced:	PO5C11H12 (1)
Stoich.:	AB5C11D12 (1)
Weight, g/mol:	280.034804
ΔH_f, kcal/mol:	-179.77
Dipole, Da:	2.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.798556
Charge, e:	0

Chem-info

IUPAC name:

(3-phosphonooxy-3-prop-2-enoyloxypropyl) prop-2-enoate

Drug info:

PubChemData

Smile

C=CC(=O)OCCO[P+](=O)OC1=CC=CC=C1

DOS

IR

Vibrations