Geometry & MOs

Info

ID:	232233
PubChem CID:	87575775
Reduced:	P3O9C20H40 (1)
Stoich.:	A3B9C20D40 (1)
Weight, g/mol:	289.958652
ΔH_f, kcal/mol:	-558.9
Dipole, Da:	6.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.767609
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-benzotellurophene-4-carboxylate

Drug info:

PubChemData

Smile

CC/C(=C(\P(=O)(OCC)OCC)/CC)/O[P+](=O)O/C(=C(/P(=O)(OCC)OCC)\CC)/CC

DOS

IR

Vibrations