Geometry & MOs

Info

ID:	136220
PubChem CID:	52001023
Reduced:	O3N6C19H22 (1)
Stoich.:	A3B6C19D22 (1)
Weight, g/mol:	396.157974
ΔH_f, kcal/mol:	-28.96
Dipole, Da:	2.43
IP(EA), eV:	-9.3(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CCN1C(=CC(=N1)C)C2=NN=C(O2)CCC(=O)NC3=CC=CC(=C3)C(=O)NC

DOS

IR

Vibrations