Geometry & MOs

Info

ID:	421310
PubChem CID:	135115767
Reduced:	N5O7C36H45 (1)
Stoich.:	A5B7C36D45 (1)
Weight, g/mol:	329.221561
ΔH_f, kcal/mol:	-177.8
Dipole, Da:	2.94
IP(EA), eV:	-8.87(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopentyl-3-[[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC[C@H](C)C1C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N1)C(=O)C3=COC=C3)C)CC4=CC=C(C=C4)OC

DOS

IR

Vibrations