Geometry & MOs

Info

ID:

226918

PubChem CID:

87558938

Reduced:

PO4C32H56 (1)

Stoich.:

AB4C32D56 (1)

Weight, g/mol:

320.147118

ΔHf, kcal/mol:

-221.23

Dipole, Da:

6.83

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.761973

Charge, e:

0

Chem-info

IUPAC name:

2-methylprop-2-enoic acid;(E)-2-methyl-3-prop-2-enoxyprop-2-enoic acid;propane-1,2,3-triol

Drug info:

PubChemData

Smile

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(CC)CO.CC(C)(C)O[P+](=O)OC(C)(C)C

DOS

IR

Vibrations