Geometry & MOs

Info

ID:	370695
PubChem CID:	127339887
Reduced:	ClO2N4C20H23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	388.171082
ΔH_f, kcal/mol:	-40.42
Dipole, Da:	7.13
IP(EA), eV:	-8.8(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C2CCN(CC2)C(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations