Geometry & MOs

Info

ID:	228037
PubChem CID:	87563260
Reduced:	O3N4H20C27 (1)
Stoich.:	A3B4C20D27 (1)
Weight, g/mol:	539.08959
ΔH_f, kcal/mol:	79.89
Dipole, Da:	2.86
IP(EA), eV:	-9.03(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-iodo-2-pyridin-1-ium-1-yltetradecanoate;bromide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=O)NC2=CC(=CC(=N2)C3=CC=C(C=C3)C#CC4=CN=CC=C4)C(=O)NO

DOS

IR

Vibrations