Geometry & MOs

Info

ID:	291147
PubChem CID:	111678044
Reduced:	FO2N4C23H29 (1)
Stoich.:	AB2C4D23E29 (1)
Weight, g/mol:	461.10879
ΔH_f, kcal/mol:	-71.9
Dipole, Da:	4.26
IP(EA), eV:	-8.87(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-fluorophenoxy)propyl]-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide

Drug info:

PubChemData

Smile

CC(CNC(=NC)NCC1=CC(=CC=C1)NC(=O)C2CCC2)OC3=CC=C(C=C3)F

DOS

IR

Vibrations