Geometry & MOs

Info

ID:	364942
PubChem CID:	127316590
Reduced:	O2N4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	306.205576
ΔH_f, kcal/mol:	12.38
Dipole, Da:	6.22
IP(EA), eV:	-9.0(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-cyclobutylpiperazin-1-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one

Drug info:

PubChemData

Smile

CCCC1=NOC2=C1C(=CC(=N2)C3CC3)C(=O)N4CCN(CC4)C5CCC5

DOS

IR

Vibrations