Geometry & MOs

Info

ID:	291093
PubChem CID:	111677882
Reduced:	FON6C20H29 (1)
Stoich.:	ABC6D20E29 (1)
Weight, g/mol:	521.20269
ΔH_f, kcal/mol:	-22.01
Dipole, Da:	6.7
IP(EA), eV:	-9.29(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(4-fluorophenoxy)propyl]-2-methylguanidine;hydroiodide

Drug info:

PubChemData

Smile

CC(CNC(=NC)NCCC1=NN=C2N1CCCCC2)OC3=CC=C(C=C3)F

DOS

IR

Vibrations