Geometry & MOs

Info

ID:

411850

PubChem CID:

135084695

Reduced:

PO4C10H12 (1)

Stoich.:

AB4C10D12 (1)

Weight, g/mol:

216.136159

ΔHf, kcal/mol:

-165.54

Dipole, Da:

3.55

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.759235

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 8-hydroxy-2-methyl-3-oxooctanoate

Drug info:

PubChemData

Smile

CCO[P+](=O)C1=CC=CC=C1C(=O)OC

DOS

IR

Vibrations