Geometry & MOs

Info

ID:

409418

PubChem CID:

135082199

Reduced:

O2H7C9 (1)

Stoich.:

A2B7C9 (1)

Weight, g/mol:

425.7475

ΔHf, kcal/mol:

-31.37

Dipole, Da:

2.16

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.155480

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(C=[O+]2)O

DOS

IR

Vibrations