Geometry & MOs

Info

ID:

381202

PubChem CID:

134971860

Reduced:

O4C12H13 (1)

Stoich.:

A4B12C13 (1)

Weight, g/mol:

344.089603

ΔHf, kcal/mol:

-121.95

Dipole, Da:

4.9

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.089889

Charge, e:

 0

Chem-info

IUPAC name:

dimethyl 1-(3-methoxy-3-oxoprop-1-en-2-yl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)C(=C)C1C2=CC=CC=C2C(O1)[OH2+]

DOS

IR

Vibrations