Geometry & MOs

Info

ID:

14297

PubChem CID:

408389

Reduced:

ON2C9H13 (1)

Stoich.:

AB2C9D13 (1)

Weight, g/mol:

165.102788

ΔHf, kcal/mol:

-23.85

Dipole, Da:

3.63

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.904250

Charge, e:

 1

Chem-info

IUPAC name:

1-propylpyridin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

CCC[N+]1=CC=CC(=C1)C(=O)N

DOS

IR

Vibrations