Geometry & MOs

Info

ID:	291824
PubChem CID:	113584930
Reduced:	ClO2N3C12H20 (1)
Stoich.:	AB2C3D12E20 (1)
Weight, g/mol:	333.01466
ΔH_f, kcal/mol:	-91.59
Dipole, Da:	4.52
IP(EA), eV:	-8.89(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-(2-hydroxyethyl)-5-(thiolan-2-ylmethylamino)pyridazin-3-one

Drug info:

PubChemData

Smile

CC(C)N1C(=O)C(=C(C=N1)NC(C)CCCO)Cl

DOS

IR

Vibrations