Geometry & MOs

Info

ID:

11672

PubChem CID:

118798

Reduced:

NOC11H18 (1)

Stoich.:

ABC11D18 (1)

Weight, g/mol:

180.138839

ΔHf, kcal/mol:

-44.76

Dipole, Da:

3.28

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.015568

Charge, e:

 1

Chem-info

IUPAC name:

1-butyl-2,6-dimethylpyridin-1-ium-4-ol

Drug info:

PubChemData

Smile

CCCC[N+]1=C(C=C(C=C1C)O)C

DOS

IR

Vibrations