Geometry & MOs

Info

ID:	413648
PubChem CID:	135086597
Reduced:	NO3C20H23 (1)
Stoich.:	AB3C20D23 (1)
Weight, g/mol:	472.140974
ΔH_f, kcal/mol:	-88.28
Dipole, Da:	3.45
IP(EA), eV:	-8.73(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-pentyl-4-[2-[2-(4-pentylphenyl)ethynyltellanyl]ethynyl]benzene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C(\C2=CC=C(C=C2)C)/OCOC)/NC(=O)C

DOS

IR

Vibrations