Geometry & MOs

Info

ID:	176821
PubChem CID:	76102779
Reduced:	O3N4C6H14 (1)
Stoich.:	A3B4C6D14 (1)
Weight, g/mol:	340.98495
ΔH_f, kcal/mol:	-48.06
Dipole, Da:	4.18
IP(EA), eV:	-9.49(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-(4-bromo-2-fluoro-5-methylphenyl)-7-fluoro-1H-triazolo[1,5-a]pyrimidin-4-ium-5-one

Drug info:

PubChemData

Smile

C(CC(C(=O)OO)N)CN=C(N)N

DOS

IR

Vibrations