Geometry & MOs

Info

ID:

408677

PubChem CID:

135081445

Reduced:

C9H17 (1)

Stoich.:

A9B17 (1)

Weight, g/mol:

234.951496

ΔHf, kcal/mol:

-10.42

Dipole, Da:

0.96

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.908502

Charge, e:

 1

Chem-info

IUPAC name:

1,2,3-benzotelluradiazol-3-ium

Drug info:

PubChemData

Smile

CC(=C)[CH]CC(C)(C)C

DOS

IR

Vibrations