Geometry & MOs

Info

ID:

409340

PubChem CID:

135082120

Reduced:

O3C11H13 (1)

Stoich.:

A3B11C13 (1)

Weight, g/mol:

94.018482

ΔHf, kcal/mol:

-71.32

Dipole, Da:

2.9

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.375558

Charge, e:

 1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1O)OC)[CH]C=C

DOS

IR

Vibrations