Geometry & MOs

Info

ID:	248632
PubChem CID:	103083205
Reduced:	BrON5H10C12 (1)
Stoich.:	ABC5D10E12 (1)
Weight, g/mol:	325.04259
ΔH_f, kcal/mol:	117.27
Dipole, Da:	10.61
IP(EA), eV:	-8.65(-1.95)
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-methoxypropan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=N/C(=C\3/C=NN=C3N)/ON2

DOS

IR

Vibrations