Geometry & MOs

Info

ID:	233533
PubChem CID:	91145346
Reduced:	N2O2C6H7 (2)
Stoich.:	A2B2C6D7 (2)
Weight, g/mol:	204.126263
ΔH_f, kcal/mol:	-66.47
Dipole, Da:	4.8
IP(EA), eV:	-8.62(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3'-prop-2-ynylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2-oxazole]

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)CC(=O)NC(=O)CN=[N+]=[N-]

DOS

IR

Vibrations