Geometry & MOs

Info

ID:	369612
PubChem CID:	127334892
Reduced:	O2N5C17H25 (1)
Stoich.:	A2B5C17D25 (1)
Weight, g/mol:	396.252526
ΔH_f, kcal/mol:	-2.24
Dipole, Da:	2.33
IP(EA), eV:	-9.09(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=NO1)CN2CCN(CC2)C(=O)C3(CCC3)C#N

DOS

IR

Vibrations