Geometry & MOs

Info

ID:	53301
PubChem CID:	14710261
Reduced:	Cl6N6C33H64 (1)
Stoich.:	A6B6C33D64 (1)
Weight, g/mol:	295.82179
ΔH_f, kcal/mol:	-155.68
Dipole, Da:	40.43
IP(EA), eV:	-7.68(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

copper(1+);2-ethynyl-3-iodothiophene

Drug info:

PubChemData

Smile

C[N+](C)(CCCCCCNCCN)C1=CC=C(C=C1)CC2=CC=C(C=C2)[N+](C)(C)CCCCCCNCCN.Cl.Cl.Cl.Cl.[Cl-].[Cl-]

DOS

IR

Vibrations