Geometry & MOs

Info

ID:	204679
PubChem CID:	79996851
Reduced:	BrOSN2C12H15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	315.0041
ΔH_f, kcal/mol:	0.3
Dipole, Da:	3.14
IP(EA), eV:	-9.05(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C=CN=C1C(C2=CC(=C(S2)Br)C)O

DOS

IR

Vibrations