Geometry & MOs

Info

ID:

52346

PubChem CID:

12015182

Reduced:

OC16H27 (1)

Stoich.:

AB16C27 (1)

Weight, g/mol:

347.186336

ΔHf, kcal/mol:

-69.14

Dipole, Da:

0.14

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.992486

Charge, e:

 0

Chem-info

IUPAC name:

1,4-dimethyl-2,6-dipentylpyridin-1-ium;perchlorate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations