Geometry & MOs

Info

ID:	248664
PubChem CID:	103083398
Reduced:	BrON3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	309.04767
ΔH_f, kcal/mol:	38.37
Dipole, Da:	3.77
IP(EA), eV:	-9.44(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NOC(=N2)CC3(CCC3)CN

DOS

IR

Vibrations