Geometry & MOs

Info

ID:

52348

PubChem CID:

12015184

Reduced:

NC17H30 (1)

Stoich.:

AB17C30 (1)

Weight, g/mol:

310.253475

ΔHf, kcal/mol:

-30.89

Dipole, Da:

1.81

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.006963

Charge, e:

 1

Chem-info

IUPAC name:

4-methyl-2,6-dipentyl-1-phenylpyridin-1-ium

Drug info:

PubChemData

Smile

CCCCCC1=CC(=CC(=[N+]1C)CCCCC)C

DOS

IR

Vibrations