Geometry & MOs

Info

ID:

409811

PubChem CID:

135082597

Reduced:

BrSeTeH12C14 (1)

Stoich.:

ABCD12E14 (1)

Weight, g/mol:

284.055897

ΔHf, kcal/mol:

36.51

Dipole, Da:

4.23

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.827607

Charge, e:

 1

Chem-info

IUPAC name:

5-(4-nitrophenyl)-2-phenyl-1,3-dioxol-3-ium-4-ol

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2[Te]3([Se+]1CC4=CC=CC=C43)Br

DOS

IR

Vibrations