Geometry & MOs

Info

ID:	291165
PubChem CID:	111678074
Reduced:	FON5C19H28 (1)
Stoich.:	ABC5D19E28 (1)
Weight, g/mol:	498.10403
ΔH_f, kcal/mol:	-31.45
Dipole, Da:	7.65
IP(EA), eV:	-8.65(0.12)
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;hydroiodide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CCNC(=NC)NCC(C)OC2=CC=C(C=C2)F

DOS

IR

Vibrations