Geometry & MOs

Info

ID:

407789

PubChem CID:

135080544

Reduced:

PO4C8H10 (1)

Stoich.:

AB4C8D10 (1)

Weight, g/mol:

260.092594

ΔHf, kcal/mol:

-142.37

Dipole, Da:

5.39

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.787307

Charge, e:

 0

Chem-info

IUPAC name:

1-diethoxyphosphoryl-1-pyrazin-2-ylethanol

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)[P+](=O)O

DOS

IR

Vibrations