Geometry & MOs

Info

ID:	291876
PubChem CID:	113585132
Reduced:	ClO2N3C12H18 (1)
Stoich.:	AB2C3D12E18 (1)
Weight, g/mol:	335.03031
ΔH_f, kcal/mol:	-51.9
Dipole, Da:	6.6
IP(EA), eV:	-8.78(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-(2-hydroxyethyl)-5-(4-methylsulfanylbutan-2-ylamino)pyridazin-3-one

Drug info:

PubChemData

Smile

CCOC(C)CNC1=C(C(=O)N(N=C1)CC=C)Cl

DOS

IR

Vibrations