Geometry & MOs

Info

ID:	291013
PubChem CID:	111677786
Reduced:	FON5C21H26 (1)
Stoich.:	ABC5D21E26 (1)
Weight, g/mol:	487.08019
ΔH_f, kcal/mol:	-8.59
Dipole, Da:	4.81
IP(EA), eV:	-8.79(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2-[2-(4-fluorophenoxy)propyl]-3-(3-methylsulfonylpropyl)guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC(C)OC1=CC=C(C=C1)F)NCCC2=CN3C=CC=CC3=N2

DOS

IR

Vibrations