Geometry & MOs

Info

ID:	48220
PubChem CID:	10538093
Reduced:	N2O6C9H10 (1)
Stoich.:	A2B6C9D10 (1)
Weight, g/mol:	242.090272
ΔH_f, kcal/mol:	-46.18
Dipole, Da:	3.82
IP(EA), eV:	-10.06(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-O-ethyl 6-O-methyl (3aS,6S,6aR)-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,2]oxazole-3,6-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CO[N+](=O)[O-])CO[N+](=O)[O-]

DOS

IR

Vibrations