Geometry & MOs

Info

ID:	406616
PubChem CID:	135078171
Reduced:	NSO4H17C18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	248.107539
ΔH_f, kcal/mol:	-22.93
Dipole, Da:	7.27
IP(EA), eV:	-8.73(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[3-(2-ethynylphenyl)prop-2-ynyl]-4-methoxypyridin-1-ium

Drug info:

PubChemData

Smile

COC1=CC=[N+](C=C1)CC#CC2=CC=CC=C2C#C.CS(=O)(=O)[O-]

DOS

IR

Vibrations