Geometry & MOs

Info

ID:	288065
PubChem CID:	104310366
Reduced:	BrSN2H5C6 (1)
Stoich.:	ABC2D5E6 (1)
Weight, g/mol:	322.04292
ΔH_f, kcal/mol:	52.05
Dipole, Da:	5.39
IP(EA), eV:	-8.69(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromopyridin-2-yl)-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)C(=S)N)Br

DOS

IR

Vibrations