Geometry & MOs

Info

ID:	8459
PubChem CID:	77944
Reduced:	ClON2C24H43 (1)
Stoich.:	ABC2D24E43 (1)
Weight, g/mol:	410.306392
ΔH_f, kcal/mol:	-40.51
Dipole, Da:	39.24
IP(EA), eV:	-5.82(-3.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(pyridin-1-ium-1-ylmethyl)octadecanamide;chloride

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)NC[N+]1=CC=CC=C1.[Cl-]

DOS

IR

Vibrations