Geometry & MOs

Info

ID:	204676
PubChem CID:	79996503
Reduced:	BrSN3C9H14 (1)
Stoich.:	ABC3D9E14 (1)
Weight, g/mol:	343.0354
ΔH_f, kcal/mol:	48.95
Dipole, Da:	2.34
IP(EA), eV:	-9.36(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations