Geometry & MOs

Info

ID:

8207

PubChem CID:

75337

Reduced:

NC22H40 (1)

Stoich.:

AB22C40 (1)

Weight, g/mol:

318.316075

ΔHf, kcal/mol:

-49.26

Dipole, Da:

2.09

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.929076

Charge, e:

 1

Chem-info

IUPAC name:

1-hexadecyl-3-methylpyridin-1-ium

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC[N+]1=CC=CC(=C1)C

DOS

IR

Vibrations