Geometry & MOs

Info

ID:	291061
PubChem CID:	111677840
Reduced:	FSO3N4C20H27 (1)
Stoich.:	ABC3D4E20F27 (1)
Weight, g/mol:	478.16049
ΔH_f, kcal/mol:	-106.4
Dipole, Da:	9.8
IP(EA), eV:	-8.84(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2-[2-(4-fluorophenoxy)propyl]-3-[(1-methylpiperidin-4-yl)methyl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC(C)OC1=CC=C(C=C1)F)NCCNS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations