Geometry & MOs

Info

ID:	370696
PubChem CID:	127339888
Reduced:	FON2C10H11 (2)
Stoich.:	ABC2D10E11 (2)
Weight, g/mol:	388.171082
ΔH_f, kcal/mol:	-122.69
Dipole, Da:	1.65
IP(EA), eV:	-9.17(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-difluorophenyl)-4-[4-(2-methylpyrazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C2CCN(CC2)C(=O)C3CCN(C3=O)C4=CC(=C(C=C4)F)F

DOS

IR

Vibrations