Geometry & MOs

Info

ID:	129313
PubChem CID:	51072235
Reduced:	ClOC3N3H4 (1)
Stoich.:	ABC3D3E4 (1)
Weight, g/mol:	189.97418
ΔH_f, kcal/mol:	7.4
Dipole, Da:	5.53
IP(EA), eV:	-9.9(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-propyl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CN1C(=O)N=C(N1)Cl

DOS

IR

Vibrations