Geometry & MOs

Info

ID:	291803
PubChem CID:	113582150
Reduced:	SO2N3C11H11 (1)
Stoich.:	AB2C3D11E11 (1)
Weight, g/mol:	259.108754
ΔH_f, kcal/mol:	30.37
Dipole, Da:	8.66
IP(EA), eV:	-9.53(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-[(2-hydroxy-2-methylpropyl)amino]-2-propan-2-ylpyridazin-3-one

Drug info:

PubChemData

Smile

CC(C#C)NS(=O)(=O)C1=C(C=C(C=C1)N)C#N

DOS

IR

Vibrations