Geometry & MOs

Info

ID:

232479

PubChem CID:

87576281

Reduced:

NCl2C3O3H4 (1)

Stoich.:

AB2C3D3E4 (1)

Weight, g/mol:

307.959321

ΔHf, kcal/mol:

-70.84

Dipole, Da:

2.67

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.759831

Charge, e:

 0

Chem-info

IUPAC name:

2-(1-benzotellurophen-7-ylmethylidene)propanedinitrile

Drug info:

PubChemData

Smile

CC(=O)O[N+](=O)C(Cl)Cl

DOS

IR

Vibrations