Geometry & MOs

Info

ID:	291543
PubChem CID:	113434938
Reduced:	INO4C12H14 (1)
Stoich.:	ABC4D12E14 (1)
Weight, g/mol:	259.135448
ΔH_f, kcal/mol:	-130.17
Dipole, Da:	3.47
IP(EA), eV:	-9.51(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(2-methylsulfanylethyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2=CC(=C(C=C2)I)O)CO

DOS

IR

Vibrations