Geometry & MOs

Info

ID:	125268
PubChem CID:	50917805
Reduced:	ClO3N4C19H23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	411.075262
ΔH_f, kcal/mol:	-67.63
Dipole, Da:	5.39
IP(EA), eV:	-8.46(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[4-(2,5-dichlorophenoxy)piperidin-1-yl]-2-oxoethoxy]-2-methylpyridazin-3-one

Drug info:

PubChemData

Smile

CN1C(=O)C(=CC=N1)N(C)CC(=O)N2CCC(CC2)OC3=CC=CC=C3Cl

DOS

IR

Vibrations