Geometry & MOs

Info

ID:	333089
PubChem CID:	127251513
Reduced:	ClSO2N3C23H24 (1)
Stoich.:	ABC2D3E23F24 (1)
Weight, g/mol:	422.175419
ΔH_f, kcal/mol:	-31.1
Dipole, Da:	1.81
IP(EA), eV:	-9.16(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[4-[(3-fluorophenyl)methyl]-6-methylpyridin-2-yl]morpholine-4-carbonyl]-2-methylpyridazin-3-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)CC3=CSC(=N3)C)CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations