Geometry & MOs

Info

ID:	248743
PubChem CID:	103084056
Reduced:	BrN2O2C15H19 (1)
Stoich.:	AB2C2D15E19 (1)
Weight, g/mol:	338.06299
ΔH_f, kcal/mol:	-32.46
Dipole, Da:	2.26
IP(EA), eV:	-9.64(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations