Geometry & MOs

Info

ID:

228157

PubChem CID:

87563547

Reduced:

NaO3C4H8 (1)

Stoich.:

AB3C4D8 (1)

Weight, g/mol:

222.104465

ΔHf, kcal/mol:

-132.73

Dipole, Da:

8.22

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.761286

Charge, e:

 0

Chem-info

IUPAC name:

(2-phenoxycyclobuten-1-yl)benzene

Drug info:

PubChemData

Smile

CCCC(=O)OO.[Na]

DOS

IR

Vibrations