Geometry & MOs

Info

ID:	424227
PubChem CID:	135121824
Reduced:	IN3O3C16H26 (1)
Stoich.:	AB3C3D16E26 (1)
Weight, g/mol:	666.11792
ΔH_f, kcal/mol:	-110.98
Dipole, Da:	5.25
IP(EA), eV:	-7.72(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

trimethyl-[2-[4-[1-[4-[2-(trimethylazaniumyl)ethoxy]phenyl]but-1-enyl]phenoxy]ethyl]azanium;diiodide

Drug info:

PubChemData

Smile

CCC[N+](C)(C)CC(=O)NC1=CC(=CC=C1)OC(=O)N(C)C.[I-]

DOS

IR

Vibrations