Geometry & MOs

Info

ID:	202546
PubChem CID:	79684237
Reduced:	ISO2N3C11H16 (1)
Stoich.:	ABC2D3E11F16 (1)
Weight, g/mol:	334.95893
ΔH_f, kcal/mol:	-13.04
Dipole, Da:	1.96
IP(EA), eV:	-8.9(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC)(C(=NO)N)NC(=O)C1=CSC(=C1)I

DOS

IR

Vibrations