Geometry & MOs

Info

ID:	9418
PubChem CID:	89426
Reduced:	Br2N2C19H26 (1)
Stoich.:	A2B2C19D26 (1)
Weight, g/mol:	442.04422
ΔH_f, kcal/mol:	35.04
Dipole, Da:	7.86
IP(EA), eV:	-8.04(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[N+](C)(C)CCC[N+]1=CC=C(C=C1)C=CC2=CC=CC=C2.[Br-].[Br-]

DOS

IR

Vibrations