Geometry & MOs

Info

ID:

15008

PubChem CID:

427063

Reduced:

NOC17H30 (1)

Stoich.:

ABC17D30 (1)

Weight, g/mol:

264.23274

ΔHf, kcal/mol:

-59.75

Dipole, Da:

3.55

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.934851

Charge, e:

 1

Chem-info

IUPAC name:

12-pyridin-1-ium-1-yldodecan-1-ol

Drug info:

PubChemData

Smile

C1=CC=[N+](C=C1)CCCCCCCCCCCCO

DOS

IR

Vibrations