Geometry & MOs

Info

ID:	218300
PubChem CID:	85089146
Reduced:	BrNOC25H36 (1)
Stoich.:	ABCD25E36 (1)
Weight, g/mol:	366.27969
ΔH_f, kcal/mol:	19.76
Dipole, Da:	50.69
IP(EA), eV:	-5.1(-3.89)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[2-(1-dodecylpyridin-1-ium-2-yl)ethenyl]phenol

Drug info:

PubChemData

Smile

CCCCCCCCCCCC[N+]1=CC=CC=C1C=CC2=CC(=CC=C2)O.[Br-]

DOS

IR

Vibrations