Geometry & MOs

Info

ID:

15009

PubChem CID:

427065

Reduced:

NOC15H26 (1)

Stoich.:

ABC15D26 (1)

Weight, g/mol:

236.201439

ΔHf, kcal/mol:

-56.71

Dipole, Da:

2.98

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.979506

Charge, e:

 1

Chem-info

IUPAC name:

9-(4-methylpyridin-1-ium-1-yl)nonan-1-ol

Drug info:

PubChemData

Smile

CC1=CC=[N+](C=C1)CCCCCCCCCO

DOS

IR

Vibrations