Geometry & MOs

Info

ID:	283502
PubChem CID:	103985471
Reduced:	BrClNO2H15C16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	251.163377
ΔH_f, kcal/mol:	-39.51
Dipole, Da:	4.12
IP(EA), eV:	-8.85(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCCCNC(=O)C2=C(C(=CC=C2)Br)Cl

DOS

IR

Vibrations