Geometry & MOs

Info

ID:	187170
PubChem CID:	77538610
Reduced:	SO6N8C41H52 (1)
Stoich.:	AB6C8D41E52 (1)
Weight, g/mol:	385.175004
ΔH_f, kcal/mol:	-171.94
Dipole, Da:	2.35
IP(EA), eV:	-9.19(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[1-(2-phenoxyacetyl)piperazin-2-yl]-1,2,4-oxadiazol-3-yl]piperidin-2-one

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN2CCN(C2=O)C(C(C)C)C(=O)NC(CC3=CC=CC=C3)C(CN(CC4=CC=C(C=C4)C5=CC=CC=N5)NC(=O)C(C(C)C)NC(=O)O)O

DOS

IR

Vibrations