Geometry & MOs

Info

ID:	290984
PubChem CID:	111677750
Reduced:	OF3N5C16H20 (1)
Stoich.:	AB3C5D16E20 (1)
Weight, g/mol:	464.14484
ΔH_f, kcal/mol:	-115.44
Dipole, Da:	5.42
IP(EA), eV:	-9.28(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CNC(=NC)NCC1=NC=CN1C(F)F)OC2=CC=C(C=C2)F

DOS

IR

Vibrations