Geometry & MOs

Info

ID:	232271
PubChem CID:	87575846
Reduced:	NCl2O2C20H23 (1)
Stoich.:	AB2C2D20E23 (1)
Weight, g/mol:	256.948422
ΔH_f, kcal/mol:	-77.96
Dipole, Da:	5.69
IP(EA), eV:	-8.9(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzotellurophene-6-carbonitrile

Drug info:

PubChemData

Smile

C1CCC(CC1)OC2=CC=C(C=C2)C(C=O)(C3=CC=C(C=C3)Cl)N.Cl

DOS

IR

Vibrations