Geometry & MOs

Info

ID:

221009

PubChem CID:

85248188

Reduced:

O2N6C11H13 (1)

Stoich.:

A2B6C11D13 (1)

Weight, g/mol:

264.136159

ΔHf, kcal/mol:

71.73

Dipole, Da:

3.34

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.875247

Charge, e:

 0

Chem-info

IUPAC name:

spiro[1,3-dioxolane-2,8'-2,3,4,4a,5,6,7,9a-octahydro-1H-xanthene]-9'-one

Drug info:

PubChemData

Smile

CN1C(=C(C2=CC=C(C=C2)C(=O)OC)[N+]#N)NNN1

DOS

IR

Vibrations