Geometry & MOs

Info

ID:	361579
PubChem CID:	127303845
Reduced:	ON4C24H24 (1)
Stoich.:	AB4C24D24 (1)
Weight, g/mol:	371.232125
ΔH_f, kcal/mol:	65.25
Dipole, Da:	5.91
IP(EA), eV:	-9.13(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-4-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC3=C(C=C2)C4=CC=CC=C4C3)C5=NN=CN5C6CC6

DOS

IR

Vibrations