Geometry & MOs

Info

ID:

15011

PubChem CID:

427067

Reduced:

NOC17H30 (1)

Stoich.:

ABC17D30 (1)

Weight, g/mol:

264.23274

ΔHf, kcal/mol:

-69.84

Dipole, Da:

3.13

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.983000

Charge, e:

 1

Chem-info

IUPAC name:

10-(3,4-dimethylpyridin-1-ium-1-yl)decan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C=[N+](C=C1)CCCCCCCCCCO)C

DOS

IR

Vibrations