Geometry & MOs

Info

ID:	399392
PubChem CID:	135040013
Reduced:	NSC11H11 (1)
Stoich.:	ABC11D11 (1)
Weight, g/mol:	204.078644
ΔH_f, kcal/mol:	86.43
Dipole, Da:	0.86
IP(EA), eV:	-9.2(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

spiro[1,3-dioxane-5,2'-3H-indene]-1'-one

Drug info:

PubChemData

Smile

C1=CC(C=C1)CN=CC2=CC=CS2

DOS

IR

Vibrations