Geometry & MOs

Info

ID:

229168

PubChem CID:

87567092

Reduced:

SO2C34H47 (1)

Stoich.:

AB2C34D47 (1)

Weight, g/mol:

274.09938

ΔHf, kcal/mol:

-72.73

Dipole, Da:

1.63

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.772438

Charge, e:

 0

Chem-info

IUPAC name:

biphenylene-1-carbaldehyde;phenol

Drug info:

PubChemData

Smile

CCCCCCCCOC1=CC=CC=C1[S+](C2=CC=CC=C2)C3=CC=CC=C3OCCCCCCCC

DOS

IR

Vibrations