Geometry & MOs

Info

ID:	291166
PubChem CID:	111678075
Reduced:	FION6C19H24 (1)
Stoich.:	ABCD6E19F24 (1)
Weight, g/mol:	370.191738
ΔH_f, kcal/mol:	19.51
Dipole, Da:	5.02
IP(EA), eV:	-9.16(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-fluorophenoxy)propyl]-2-methyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine

Drug info:

PubChemData

Smile

CC(CNC(=NC)NCCC1=NN=C2N1C=CC=C2)OC3=CC=C(C=C3)F.I

DOS

IR

Vibrations