Geometry & MOs

Info

ID:	291855
PubChem CID:	113585065
Reduced:	ClON3C12H18 (1)
Stoich.:	ABC3D12E18 (1)
Weight, g/mol:	333.05105
ΔH_f, kcal/mol:	-15.44
Dipole, Da:	5.04
IP(EA), eV:	-8.86(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-(2-methylpropyl)-5-(2-methylsulfanylpropylamino)pyridazin-3-one

Drug info:

PubChemData

Smile

CCCCN1C(=O)C(=C(C=N1)NCCC=C)Cl

DOS

IR

Vibrations