Geometry & MOs

Info

ID:	288396
PubChem CID:	104316206
Reduced:	BrO2N3C11H12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	317.97524
ΔH_f, kcal/mol:	7.1
Dipole, Da:	2.16
IP(EA), eV:	-9.98(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[3-(5-bromopyridin-2-yl)-2H-1,2,4-oxadiazol-5-ylidene]pyridin-3-one

Drug info:

PubChemData

Smile

C1=CC(=NC=C1Br)C2=NOC(=N2)CCCCO

DOS

IR

Vibrations