Geometry & MOs

Info

ID:	288098
PubChem CID:	104311085
Reduced:	ClOBr2N4H7C13 (1)
Stoich.:	ABC2D4E7F13 (1)
Weight, g/mol:	391.93065
ΔH_f, kcal/mol:	81.11
Dipole, Da:	6.99
IP(EA), eV:	-9.06(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(3,5-dibromopyridin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-1-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1N)Cl)C2=NC(=NO2)C3=C(C=C(C=N3)Br)Br

DOS

IR

Vibrations