Geometry & MOs

Info

ID:	250378
PubChem CID:	103096132
Reduced:	BrSN2O2C10H11 (1)
Stoich.:	ABC2D2E10F11 (1)
Weight, g/mol:	349.98777
ΔH_f, kcal/mol:	-2.43
Dipole, Da:	4.13
IP(EA), eV:	-9.57(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[2-bromo-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-1-ol

Drug info:

PubChemData

Smile

CCC(C1=NOC(=N1)C2=CC(=C(S2)Br)C)O

DOS

IR

Vibrations