Geometry & MOs

Info

ID:	368589
PubChem CID:	127329587
Reduced:	FON5C22H28 (1)
Stoich.:	ABC5D22E28 (1)
Weight, g/mol:	397.227789
ΔH_f, kcal/mol:	-26.99
Dipole, Da:	4.38
IP(EA), eV:	-8.52(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluoro-2-methylphenyl)-3-[[1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]piperidin-2-one

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCN(CC2)C3CCCN(C3=O)C4=C(C=C(C=C4)F)C

DOS

IR

Vibrations