Geometry & MOs

Info

ID:

15555

PubChem CID:

444203

Reduced:

N2C11H19 (1)

Stoich.:

A2B11C19 (1)

Weight, g/mol:

179.154824

ΔHf, kcal/mol:

8.78

Dipole, Da:

0.87

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.948094

Charge, e:

 1

Chem-info

IUPAC name:

(1-pentylpyridin-1-ium-3-yl)methanamine

Drug info:

PubChemData

Smile

CCCCC[N+]1=CC=CC(=C1)CN

DOS

IR

Vibrations