Geometry & MOs

Info

ID:

381

PubChem CID:

2683

Reduced:

NC21H38 (1)

Stoich.:

AB21C38 (1)

Weight, g/mol:

304.300425

ΔHf, kcal/mol:

-40.47

Dipole, Da:

2.35

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.932491

Charge, e:

 1

Chem-info

IUPAC name:

1-hexadecylpyridin-1-ium

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1

DOS

IR

Vibrations