Geometry & MOs

Info

ID:

14484

PubChem CID:

412855

Reduced:

ON2C12H19 (1)

Stoich.:

AB2C12D19 (1)

Weight, g/mol:

207.149738

ΔHf, kcal/mol:

-32.52

Dipole, Da:

4.85

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.925410

Charge, e:

 1

Chem-info

IUPAC name:

N,N,1-triethylpyridin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations