Geometry & MOs

Info

ID:	26689
PubChem CID:	794616
Reduced:	NO2C8H8 (2)
Stoich.:	AB2C8D8 (2)
Weight, g/mol:	301.118832
ΔH_f, kcal/mol:	-89.17
Dipole, Da:	15.65
IP(EA), eV:	-9.12(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[2-(4-acetamidophenoxy)ethyl]pyridin-1-ium-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)OCC[N+]2=CC=CC(=C2)C(=O)[O-]

DOS

IR

Vibrations