Geometry & MOs

Info

ID:	365819
PubChem CID:	127318565
Reduced:	SO2N3C17H25 (1)
Stoich.:	AB2C3D17E25 (1)
Weight, g/mol:	388.189926
ΔH_f, kcal/mol:	-60.33
Dipole, Da:	2.73
IP(EA), eV:	-8.74(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-naphthalen-1-yl-4-[2-(1H-pyrazol-4-yl)piperidine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2=CSC(=N2)NC(=O)C3CC4CCC3O4

DOS

IR

Vibrations