Geometry & MOs

Info

ID:	363018
PubChem CID:	127310043
Reduced:	SO2N6C18H26 (1)
Stoich.:	AB2C6D18E26 (1)
Weight, g/mol:	308.184841
ΔH_f, kcal/mol:	3.2
Dipole, Da:	0.64
IP(EA), eV:	-8.75(-0.32)
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]-(oxolan-3-yl)methanone

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)C3CCCN3C4=NC=CS4

DOS

IR

Vibrations