Geometry & MOs

Info

ID:

14499

PubChem CID:

413356

Reduced:

NC24H44 (1)

Stoich.:

AB24C44 (1)

Weight, g/mol:

346.347375

ΔHf, kcal/mol:

-61.17

Dipole, Da:

2.07

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.945842

Charge, e:

 1

Chem-info

IUPAC name:

3-methyl-1-octadecylpyridin-1-ium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations