Geometry & MOs

Info

ID:	223422
PubChem CID:	85335022
Reduced:	FO3N5H14C16 (1)
Stoich.:	AB3C5D14E16 (1)
Weight, g/mol:	347.200905
ΔH_f, kcal/mol:	-21.5
Dipole, Da:	6.32
IP(EA), eV:	-9.54(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-[2-(2-fluorophenyl)acetyl]-4-methylpiperidin-1-yl]methyl]piperazin-2-one

Drug info:

PubChemData

Smile

C1CC1(C#N)C2=C(C=C(C=C2)N3CC(OC3=O)CNC4=NOC=N4)F

DOS

IR

Vibrations