Geometry & MOs

Info

ID:	369274
PubChem CID:	127332028
Reduced:	FON5C21H28 (1)
Stoich.:	ABC5D21E28 (1)
Weight, g/mol:	369.196489
ΔH_f, kcal/mol:	-35.56
Dipole, Da:	7.73
IP(EA), eV:	-8.89(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluoro-5-methylphenyl)-3-(4-pyridazin-3-ylpiperazin-1-yl)piperidin-2-one

Drug info:

PubChemData

Smile

CCN1C=NN=C1C2CCCN(C2)C3CCCN(C3=O)C4=C(C=CC(=C4)C)F

DOS

IR

Vibrations