Geometry & MOs

Info

ID:	365820
PubChem CID:	127318694
Reduced:	O2N4C23H24 (1)
Stoich.:	A2B4C23D24 (1)
Weight, g/mol:	382.200491
ΔH_f, kcal/mol:	-6.19
Dipole, Da:	6.69
IP(EA), eV:	-8.64(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxy-5-methylphenyl)-4-[2-(1H-pyrazol-4-yl)piperidine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CNN=C2)C(=O)C3CC(=O)N(C3)C4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations