Geometry & MOs

Info

ID:	355506
PubChem CID:	127288569
Reduced:	O2N5C18H31 (1)
Stoich.:	A2B5C18D31 (1)
Weight, g/mol:	293.185175
ΔH_f, kcal/mol:	-40.82
Dipole, Da:	4.13
IP(EA), eV:	-8.69(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azetidin-1-yl)-2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)N2CCN(CC2)C(C)C(=O)N3CCCCCC3

DOS

IR

Vibrations