Geometry & MOs

Info

ID:	204682
PubChem CID:	79996854
Reduced:	BrOSN3C9H14 (1)
Stoich.:	ABCD3E9F14 (1)
Weight, g/mol:	300.98845
ΔH_f, kcal/mol:	18.4
Dipole, Da:	1.57
IP(EA), eV:	-9.33(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(5-bromo-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=NCCOC)NN)Br

DOS

IR

Vibrations