Geometry & MOs

Info

ID:	369617
PubChem CID:	127334897
Reduced:	O2N4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	363.172896
ΔH_f, kcal/mol:	-21.92
Dipole, Da:	3.75
IP(EA), eV:	-8.83(-0.21)
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]-3-(1,3-thiazol-2-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=NO1)CN2CCN(CC2)C(=O)C3=CC=CC4=C3CCC4

DOS

IR

Vibrations