Geometry & MOs

Info

ID:	231830
PubChem CID:	87574738
Reduced:	INC5O5H14 (1)
Stoich.:	ABC5D5E14 (1)
Weight, g/mol:	256.948422
ΔH_f, kcal/mol:	3.79
Dipole, Da:	12.81
IP(EA), eV:	-10.48(-2.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzotellurophene-4-carbonitrile

Drug info:

PubChemData

Smile

C[N+](C)(C)CCO.[O-]I(=O)(=O)=O

DOS

IR

Vibrations