Geometry & MOs

Info

ID:	398975
PubChem CID:	135036706
Reduced:	NO2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	196.073559
ΔH_f, kcal/mol:	-0.98
Dipole, Da:	4.44
IP(EA), eV:	-9.72(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R)-2-methyl-6-oxo-1-oxaspiro[2.4]hept-4-en-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C1C[C@@H]([C@H](C1)[N+](=O)[O-])C2=CC=CC=C2

DOS

IR

Vibrations