Geometry & MOs

Info

ID:	248657
PubChem CID:	103083347
Reduced:	BrON3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	323.06332
ΔH_f, kcal/mol:	14.06
Dipole, Da:	4.4
IP(EA), eV:	-9.41(-0.78)
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]-2-methylbutan-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations