Geometry & MOs

Info

ID:	369619
PubChem CID:	127334899
Reduced:	SO4N5C16H27 (1)
Stoich.:	AB4C5D16E27 (1)
Weight, g/mol:	388.247441
ΔH_f, kcal/mol:	-117.51
Dipole, Da:	3.05
IP(EA), eV:	-8.96(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=NO1)CN2CCN(CC2)C(=O)CN3CCCS3(=O)=O

DOS

IR

Vibrations