Geometry & MOs

Info

ID:	291023
PubChem CID:	111677798
Reduced:	FO2N6C22H27 (1)
Stoich.:	AB2C6D22E27 (1)
Weight, g/mol:	478.1241
ΔH_f, kcal/mol:	-26.72
Dipole, Da:	5.25
IP(EA), eV:	-8.55(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[2-(4-fluorophenoxy)propyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC1=NC(=NN1)C2=CC=C(C=C2)OC)NCC(C)OC3=CC=C(C=C3)F

DOS

IR

Vibrations