Geometry & MOs

Info

ID:	9383
PubChem CID:	88817
Reduced:	Br2N3C22H31 (1)
Stoich.:	A2B3C22D31 (1)
Weight, g/mol:	497.08642
ΔH_f, kcal/mol:	34.74
Dipole, Da:	2.99
IP(EA), eV:	-8.19(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

trimethyl-[3-[4-[2-(1-methylindol-2-yl)ethyl]pyridin-1-ium-1-yl]propyl]azanium;dibromide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C=C1CCC3=CC=[N+](C=C3)CCC[N+](C)(C)C.[Br-].[Br-]

DOS

IR

Vibrations