Geometry & MOs

Info

ID:

396802

PubChem CID:

135029241

Reduced:

CuOC5H8 (1)

Stoich.:

ABC5D8 (1)

Weight, g/mol:

237.078979

ΔHf, kcal/mol:

33.68

Dipole, Da:

0.76

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.759016

Charge, e:

 0

Chem-info

IUPAC name:

(5S,6E)-6-benzylidene-5-hydroxy-5H-cyclopenta[b]pyridin-7-one

Drug info:

PubChemData

Smile

C1C[CH-][CH+]OC1.[Cu+]

DOS

IR

Vibrations