Geometry & MOs

Info

ID:	132434
PubChem CID:	51362035
Reduced:	FOSN2H15C21 (1)
Stoich.:	ABCD2E15F21 (1)
Weight, g/mol:	317.089937
ΔH_f, kcal/mol:	40.07
Dipole, Da:	2.45
IP(EA), eV:	-8.89(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-nitrophenyl)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)OCC3=NN=C(S3)C4=CC=CC=C4F

DOS

IR

Vibrations