Geometry & MOs

Info

ID:	291044
PubChem CID:	111677819
Reduced:	FISO2N4C20H28 (1)
Stoich.:	ABCD2E4F20G28 (1)
Weight, g/mol:	568.17105
ΔH_f, kcal/mol:	-82.16
Dipole, Da:	6.92
IP(EA), eV:	-8.71(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[2-(4-fluorophenoxy)propyl]-2-[[4-(piperidine-1-carbonyl)phenyl]methyl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC(C)OC1=CC=C(C=C1)F)NCCCNC(=O)C2=CC=CS2.I

DOS

IR

Vibrations