Geometry & MOs

Info

ID:	56476
PubChem CID:	17435825
Reduced:	ON2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	318.078662
ΔH_f, kcal/mol:	8.37
Dipole, Da:	6.38
IP(EA), eV:	-9.27(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxy-1,3-benzothiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC=N1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

DOS

IR

Vibrations