Geometry & MOs

Info

ID:	290994
PubChem CID:	111677761
Reduced:	IF2O2N4C21H27 (1)
Stoich.:	AB2C2D4E21F27 (1)
Weight, g/mol:	507.15065
ΔH_f, kcal/mol:	-132.73
Dipole, Da:	3.08
IP(EA), eV:	-8.98(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-[2-(4-fluorophenoxy)propyl]-2-methylguanidine;hydroiodide

Drug info:

PubChemData

Smile

CC(CNC(=NC)NCC(CC1=CC=C(C=C1)F)C(=O)N)OC2=CC=C(C=C2)F.I

DOS

IR

Vibrations