Geometry & MOs

Info

ID:	248645
PubChem CID:	103083279
Reduced:	BrON5H12C13 (1)
Stoich.:	ABC5D12E13 (1)
Weight, g/mol:	373.00958
ΔH_f, kcal/mol:	87.43
Dipole, Da:	6.29
IP(EA), eV:	-9.29(-0.83)
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-methylsulfonylpropan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NOC(=N2)C3=C(N(N=C3)C)N

DOS

IR

Vibrations