Geometry & MOs

Info

ID:	4639
PubChem CID:	11792
Reduced:	INC12H19 (2)
Stoich.:	ABC12D19 (2)
Weight, g/mol:	608.11244
ΔH_f, kcal/mol:	29.02
Dipole, Da:	20.88
IP(EA), eV:	-6.66(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

trimethyl-[4-[4-[4-(trimethylazaniumyl)phenyl]hexan-3-yl]phenyl]azanium;diiodide

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)[N+](C)(C)C)C(CC)C2=CC=C(C=C2)[N+](C)(C)C.[I-].[I-]

DOS

IR

Vibrations