Geometry & MOs

Info

ID:	7320
PubChem CID:	72151
Reduced:	INO2C19H28 (2)
Stoich.:	ABC2D19E28 (2)
Weight, g/mol:	858.23295
ΔH_f, kcal/mol:	-87.79
Dipole, Da:	5.81
IP(EA), eV:	-6.34(-3.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis[3-(1-ethylpiperidin-1-ium-1-yl)propyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate;diiodide

Drug info:

PubChemData

Smile

CC[N+]1(CCCCC1)CCCOC(=O)C2C(C(C2C3=CC=CC=C3)C(=O)OCCC[N+]4(CCCCC4)CC)C5=CC=CC=C5.[I-].[I-]

DOS

IR

Vibrations