Geometry & MOs

Info

ID:	288095
PubChem CID:	104310986
Reduced:	OBr2N4C11H12 (1)
Stoich.:	AB2C4D11E12 (1)
Weight, g/mol:	401.95139
ΔH_f, kcal/mol:	58.97
Dipole, Da:	4.59
IP(EA), eV:	-9.36(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dibromopyridin-2-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCCNCC1=NC(=NO1)C2=C(C=C(C=N2)Br)Br

DOS

IR

Vibrations