Geometry & MOs

Info

ID:	344540
PubChem CID:	127268124
Reduced:	FO2N3C21H30 (1)
Stoich.:	AB2C3D21E30 (1)
Weight, g/mol:	348.252526
ΔH_f, kcal/mol:	-138.49
Dipole, Da:	2.3
IP(EA), eV:	-8.89(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)N2CCN(CC2)CCC(=O)NC3=CC=CC=C3F

DOS

IR

Vibrations