Geometry & MOs

Info

ID:	216865
PubChem CID:	85086896
Reduced:	LiN2O5C15H17 (1)
Stoich.:	AB2C5D15E17 (1)
Weight, g/mol:	310.141638
ΔH_f, kcal/mol:	-214.33
Dipole, Da:	3.54
IP(EA), eV:	-8.65(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-hydroxy-2,3',8,8-tetramethyl-4-oxospiro[6-oxabicyclo[3.2.1]oct-2-ene-7,5'-oxolane]-2'-yl) acetate

Drug info:

PubChemData

Smile

[Li+].COC1=CC=C(C=C1)CN2C(=O)CCN(C2=O)[CH-]C(=O)OC

DOS

IR

Vibrations