Geometry & MOs

Info

ID:	228038
PubChem CID:	87563261
Reduced:	BrINO2C21H35 (1)
Stoich.:	ABCD2E21F35 (1)
Weight, g/mol:	460.17125
ΔH_f, kcal/mol:	-17.98
Dipole, Da:	83.46
IP(EA), eV:	-4.39(-4.39)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC(C(=O)OCC)([N+]1=CC=CC=C1)I.[Br-]

DOS

IR

Vibrations