Geometry & MOs

Info

ID:	248654
PubChem CID:	103083331
Reduced:	BrON3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	323.06332
ΔH_f, kcal/mol:	37.29
Dipole, Da:	1.3
IP(EA), eV:	-9.61(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NOC(=N2)[C@@H](C)N

DOS

IR

Vibrations