Geometry & MOs

Info

ID:	125262
PubChem CID:	50917624
Reduced:	Cl2O3N4C18H20 (1)
Stoich.:	A2B3C4D18E20 (1)
Weight, g/mol:	374.175419
ΔH_f, kcal/mol:	-77.18
Dipole, Da:	4.99
IP(EA), eV:	-8.86(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[4-(5-fluoro-2-methylphenoxy)piperidin-1-yl]-2-oxoethyl]amino]-2-methylpyridazin-3-one

Drug info:

PubChemData

Smile

CN1C(=O)C(=CC=N1)NCC(=O)N2CCC(CC2)OC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations