Geometry & MOs

Info

ID:	277997
PubChem CID:	103832546
Reduced:	BrOSN3C11H14 (1)
Stoich.:	ABCD3E11F14 (1)
Weight, g/mol:	273.147727
ΔH_f, kcal/mol:	39.97
Dipole, Da:	4.64
IP(EA), eV:	-9.3(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methoxypropyl)-5-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCCC[C@@H](C1=NC(=NO1)C2=CC(=CS2)Br)N

DOS

IR

Vibrations