Geometry & MOs

Info

ID:

14830

PubChem CID:

422071

Reduced:

ON2C19H33 (1)

Stoich.:

AB2C19D33 (1)

Weight, g/mol:

305.259289

ΔHf, kcal/mol:

-67.36

Dipole, Da:

2.69

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.922012

Charge, e:

 1

Chem-info

IUPAC name:

N-dodecyl-1-methylpyridin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations