Geometry & MOs

Info

ID:	83867
PubChem CID:	49862030
Reduced:	OCl2N2H12C18 (1)
Stoich.:	AB2C2D12E18 (1)
Weight, g/mol:	480.23006
ΔH_f, kcal/mol:	44.84
Dipole, Da:	1.65
IP(EA), eV:	-9.22(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-[4-(4-phenylphenoxy)phenyl]ethenyl]spiro[1,2,4-trioxane-3,2'-adamantane]

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C(=O)N/N=C/C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations