Geometry & MOs

Info

ID:	290961
PubChem CID:	111677724
Reduced:	FO2N5C21H28 (1)
Stoich.:	AB2C5D21E28 (1)
Weight, g/mol:	571.1568
ΔH_f, kcal/mol:	-65.69
Dipole, Da:	2.67
IP(EA), eV:	-9.14(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-fluorophenoxy)propyl]-2-methyl-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CC(CNC(=NC)NCC(=O)N(C)CCC1=CC=CC=N1)OC2=CC=C(C=C2)F

DOS

IR

Vibrations