Geometry & MOs

Info

ID:	129669
PubChem CID:	51073510
Reduced:	BrO2N3C11H12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	325.04259
ΔH_f, kcal/mol:	14.76
Dipole, Da:	3.26
IP(EA), eV:	-9.35(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromofuran-2-yl)-5-[(3-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1CCN(C1)CC2=NN=C(O2)C3=CC=C(O3)Br

DOS

IR

Vibrations