Geometry & MOs

Info

ID:	355518
PubChem CID:	127288581
Reduced:	ON7C17H29 (1)
Stoich.:	AB7C17D29 (1)
Weight, g/mol:	340.156912
ΔH_f, kcal/mol:	40.53
Dipole, Da:	7.38
IP(EA), eV:	-8.83(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]thiolane 1,1-dioxide

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C(C)N2CCN(CC2)CC3=NN=C(N3C)C(C)C

DOS

IR

Vibrations