Geometry & MOs

Info

ID:	430540
PubChem CID:	135170606
Reduced:	NO5C8H11 (1)
Stoich.:	AB5C8D11 (1)
Weight, g/mol:	173.060742
ΔH_f, kcal/mol:	-178.57
Dipole, Da:	0.99
IP(EA), eV:	-9.8(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-4-chloro-3-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

CN1C(C=C(C1=O)OC)OC(=O)OC

DOS

IR

Vibrations