Geometry & MOs

Info

ID:	250399
PubChem CID:	103096307
Reduced:	BrN2O2C11H11 (1)
Stoich.:	AB2C2D11E11 (1)
Weight, g/mol:	329.98652
ΔH_f, kcal/mol:	-3.99
Dipole, Da:	2.42
IP(EA), eV:	-9.98(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations