Geometry & MOs

Info

ID:	290965
PubChem CID:	111677728
Reduced:	FON5C21H26 (1)
Stoich.:	ABC5D21E26 (1)
Weight, g/mol:	576.15436
ΔH_f, kcal/mol:	-10.18
Dipole, Da:	6.16
IP(EA), eV:	-8.8(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-[2-(4-fluorophenoxy)propyl]-2-methylguanidine;hydroiodide

Drug info:

PubChemData

Smile

CC(CNC(=NC)NCCCC1=NC2=CC=CC=C2N1)OC3=CC=C(C=C3)F

DOS

IR

Vibrations