Geometry & MOs

Info

ID:	283299
PubChem CID:	103972297
Reduced:	BrO2N3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	239.163377
ΔH_f, kcal/mol:	1.3
Dipole, Da:	5.44
IP(EA), eV:	-9.09(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(azepan-2-yl)-5-(propan-2-yloxymethyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NC(=NO2)C3CCCCCN3)Br

DOS

IR

Vibrations