Geometry & MOs

Info

ID:	221945
PubChem CID:	85292929
Reduced:	IO4C16H25 (1)
Stoich.:	AB4C16D25 (1)
Weight, g/mol:	408.120903
ΔH_f, kcal/mol:	-192.61
Dipole, Da:	2.83
IP(EA), eV:	-9.56(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-oxo-2'-phenylmethoxyspiro[2H-pyran-6,5'-3,7-dioxabicyclo[4.1.0]heptane]-2-yl) benzoate

Drug info:

PubChemData

Smile

CC1CCC2(C(C1)OC3(C2(CCC3O)C)CI)C(=O)OC

DOS

IR

Vibrations