Geometry & MOs

Info

ID:	291021
PubChem CID:	111677796
Reduced:	FON5C16H22 (1)
Stoich.:	ABC5D16E22 (1)
Weight, g/mol:	554.13025
ΔH_f, kcal/mol:	-19.27
Dipole, Da:	5.91
IP(EA), eV:	-8.92(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[2-(4-fluorophenoxy)propyl]-2-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC1=CC=NN1)NCC(C)OC2=CC=C(C=C2)F

DOS

IR

Vibrations