Geometry & MOs

Info

ID:

388339

PubChem CID:

134988840

Reduced:

SeN3H4C7 (1)

Stoich.:

AB3C4D7 (1)

Weight, g/mol:

257.99814

ΔHf, kcal/mol:

124.1

Dipole, Da:

4.39

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.760315

Charge, e:

 0

Chem-info

IUPAC name:

[(E)-1-methylselanylprop-1-enyl]sulfanylmethylbenzene

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)/N=C\[Se])C#N

DOS

IR

Vibrations