Geometry & MOs

Info

ID:	54430
PubChem CID:	17388666
Reduced:	BrNC18H22 (1)
Stoich.:	ABC18D22 (1)
Weight, g/mol:	584.12247
ΔH_f, kcal/mol:	79.68
Dipole, Da:	11.92
IP(EA), eV:	-8.02(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-4-[dimethyl(naphthalen-1-ylmethyl)azaniumyl]but-2-enyl]-dimethyl-(naphthalen-1-ylmethyl)azanium;dibromide

Drug info:

PubChemData

Smile

CC[N+](CC)(CC#C)CC1=CC=CC2=CC=CC=C21.[Br-]

DOS

IR

Vibrations