Geometry & MOs

Info

ID:	248752
PubChem CID:	103084119
Reduced:	BrN2O2H11C15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	296.01604
ΔH_f, kcal/mol:	27.43
Dipole, Da:	2.12
IP(EA), eV:	-9.54(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NOC(=N2)C3=CC(=CC=C3)O

DOS

IR

Vibrations