Geometry & MOs

Info

ID:	369878
PubChem CID:	127336582
Reduced:	OSN2C12H20 (1)
Stoich.:	ABC2D12E20 (1)
Weight, g/mol:	280.189926
ΔH_f, kcal/mol:	-36.53
Dipole, Da:	1.79
IP(EA), eV:	-8.94(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-cyclopropylpiperazin-1-yl)methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1CN(CC(O1)(C)C)CC2=CSC(=N2)C

DOS

IR

Vibrations