Geometry & MOs

Info

ID:	51793
PubChem CID:	12014535
Reduced:	OC3H3 (6)
Stoich.:	AB3C3 (6)
Weight, g/mol:	284.995948
ΔH_f, kcal/mol:	-217.14
Dipole, Da:	4.52
IP(EA), eV:	-8.68(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6R,6aR)-3-(2,6-dichlorophenyl)-6-hydroxy-3a,5,6,6a-tetrahydrocyclopenta[d][1,2]oxazol-4-one

Drug info:

PubChemData

Smile

COC1=CC=CC2=CC3=C(C(=C21)OC)C(=O)O[C@@H](C3)CC(=O)OC

DOS

IR

Vibrations