Geometry & MOs

Info

ID:	220819
PubChem CID:	85240113
Reduced:	O5C14H26 (1)
Stoich.:	A5B14C26 (1)
Weight, g/mol:	161.068808
ΔH_f, kcal/mol:	-270.3
Dipole, Da:	3.78
IP(EA), eV:	-9.89(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole-2,4,5-triol

Drug info:

PubChemData

Smile

CC1CC(OC1CCO)C(COC(=O)C(C)(C)C)O

DOS

IR

Vibrations