Geometry & MOs

Info

ID:	363022
PubChem CID:	127310047
Reduced:	SO2N5C17H23 (1)
Stoich.:	AB2C5D17E23 (1)
Weight, g/mol:	322.200491
ΔH_f, kcal/mol:	26.81
Dipole, Da:	4.86
IP(EA), eV:	-9.09(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-(oxan-4-yl)methanone

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)C3=CSC(=N3)C4CC4

DOS

IR

Vibrations