Geometry & MOs

Info

ID:	365663
PubChem CID:	127318384
Reduced:	NOC7H11 (3)
Stoich.:	ABC7D11 (3)
Weight, g/mol:	362.0266
ΔH_f, kcal/mol:	-122.95
Dipole, Da:	4.72
IP(EA), eV:	-9.75(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-bromo-3-methyl-1-benzofuran-2-yl)-3-(oxan-4-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)NC2CCC(CC2)C3=NC(=NO3)C4CCOCC4

DOS

IR

Vibrations