Geometry & MOs

Info

ID:	368590
PubChem CID:	127329588
Reduced:	FON5C22H28 (1)
Stoich.:	ABC5D22E28 (1)
Weight, g/mol:	383.212139
ΔH_f, kcal/mol:	-39.06
Dipole, Da:	6.52
IP(EA), eV:	-8.56(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluoro-2-methylphenyl)-3-[4-(pyridazin-3-ylamino)piperidin-1-yl]piperidin-2-one

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC3CCCN(C3=O)C4=C(C=C(C=C4)F)C

DOS

IR

Vibrations