Geometry & MOs

Info

ID:	31784
PubChem CID:	3718141
Reduced:	ION3C10H10 (1)
Stoich.:	ABC3D10E10 (1)
Weight, g/mol:	438.144965
ΔH_f, kcal/mol:	42.57
Dipole, Da:	4.45
IP(EA), eV:	-8.49(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzothiazol-2-yl)-5-methyl-4-(2-piperazin-1-ylethylamino)-6-(trifluoromethyl)pyridazin-3-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=C(C(=NN2)N)I

DOS

IR

Vibrations