Geometry & MOs

Info

ID:	291148
PubChem CID:	111678045
Reduced:	FION5C17H25 (1)
Stoich.:	ABCD5E17F25 (1)
Weight, g/mol:	333.196489
ΔH_f, kcal/mol:	-15.18
Dipole, Da:	4.25
IP(EA), eV:	-9.24(-0.65)
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

Drug info:

PubChemData

Smile

CC(CNC(=NC)NCCCN1C=CC=N1)OC2=CC=C(C=C2)F.I

DOS

IR

Vibrations