Geometry & MOs

Info

ID:	369262
PubChem CID:	127332016
Reduced:	FON5C22H24 (1)
Stoich.:	ABC5D22E24 (1)
Weight, g/mol:	393.196489
ΔH_f, kcal/mol:	-1.24
Dipole, Da:	4.47
IP(EA), eV:	-8.7(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-(2-fluoro-5-methylphenyl)-2-oxopiperidin-3-yl]piperazin-1-yl]pyridine-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)N2CCCC(C2=O)N3CCN(CC3)C4=C(C=CC=N4)C#N

DOS

IR

Vibrations