Geometry & MOs

Info

ID:

220956

PubChem CID:

85247963

Reduced:

N2O3C13H15 (1)

Stoich.:

A2B3C13D15 (1)

Weight, g/mol:

246.035065

ΔHf, kcal/mol:

-44.63

Dipole, Da:

4.53

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.775719

Charge, e:

 0

Chem-info

IUPAC name:

3-(3,4-dihydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

CCOC(=C(CCC(=O)C1=CC=CC=C1)[N+]#N)O

DOS

IR

Vibrations