Geometry & MOs

Info

ID:	159870
PubChem CID:	57288839
Reduced:	O3N4C22H30 (1)
Stoich.:	A3B4C22D30 (1)
Weight, g/mol:	186.046299
ΔH_f, kcal/mol:	-105.48
Dipole, Da:	6.5
IP(EA), eV:	-8.7(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-2-(2-sulfanylpropyl)pyridazin-3-one

Drug info:

PubChemData

Smile

CCN(CC)C(=O)NC1C[C@H]2[C@@H](CC3=CNC4=C3C2=C(C=C4)C(=O)OC)N(C1)C

DOS

IR

Vibrations