Geometry & MOs

Info

ID:	248742
PubChem CID:	103084051
Reduced:	BrN2O2C14H15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	338.06299
ΔH_f, kcal/mol:	-8.65
Dipole, Da:	5.31
IP(EA), eV:	-9.46(-0.82)
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]-4-methylpentan-2-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations