Geometry & MOs

Info

ID:	248746
PubChem CID:	103084079
Reduced:	BrON3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	339.0041
ΔH_f, kcal/mol:	16.74
Dipole, Da:	3.53
IP(EA), eV:	-9.33(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NOC(=N2)CC(C(C)(C)C)NC

DOS

IR

Vibrations