Geometry & MOs

Info

ID:	291113
PubChem CID:	111677902
Reduced:	FON6C16H23 (1)
Stoich.:	ABC6D16E23 (1)
Weight, g/mol:	549.09584
ΔH_f, kcal/mol:	-7.54
Dipole, Da:	7.6
IP(EA), eV:	-8.85(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-benzylsulfonylpropyl)-3-[2-(4-fluorophenoxy)propyl]-2-methylguanidine;hydroiodide

Drug info:

PubChemData

Smile

CCN1C=NN=C1CNC(=NC)NCC(C)OC2=CC=C(C=C2)F

DOS

IR

Vibrations