Geometry & MOs

Info

ID:	324222
PubChem CID:	126677177
Reduced:	FN4C11H13 (2)
Stoich.:	AB4C11D13 (2)
Weight, g/mol:	403.141117
ΔH_f, kcal/mol:	34.02
Dipole, Da:	4.77
IP(EA), eV:	-9.02(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-chloro-5-methyl-2-pyrazin-2-ylphenoxy)methyl]-4-methyl-2-(propoxymethyl)-1,2,4-triazol-3-one

Drug info:

PubChemData

Smile

C1CNCCC1C2=CC=CC(=C2)CN=C/C(=C(/C(F)F)\N)/CC3=CC(=NC4=NNN=C34)N

DOS

IR

Vibrations