Geometry & MOs

Info

ID:	370694
PubChem CID:	127339886
Reduced:	OSN4C16H20 (1)
Stoich.:	ABC4D16E20 (1)
Weight, g/mol:	386.150954
ΔH_f, kcal/mol:	42.45
Dipole, Da:	5.43
IP(EA), eV:	-9.48(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C2CCN(CC2)C(=O)C3=CSC(=N3)C4CC4

DOS

IR

Vibrations