Geometry & MOs

Info

ID:	367881
PubChem CID:	127326034
Reduced:	FON5C21H22 (1)
Stoich.:	ABC5D21E22 (1)
Weight, g/mol:	361.19026
ΔH_f, kcal/mol:	5.59
Dipole, Da:	6.62
IP(EA), eV:	-8.69(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-oxo-1-phenylpiperidin-3-yl)piperazin-1-yl]pyridine-4-carbonitrile

Drug info:

PubChemData

Smile

C1CC(C(=O)N(C1)C2=CC(=CC=C2)F)N3CCN(CC3)C4=NC=CC(=C4)C#N

DOS

IR

Vibrations