Geometry & MOs

Info

ID:	309058
PubChem CID:	126535733
Reduced:	FN8H25C29 (1)
Stoich.:	AB8C25D29 (1)
Weight, g/mol:	210.016438
ΔH_f, kcal/mol:	173.87
Dipole, Da:	4.74
IP(EA), eV:	-8.6(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,9-dioxatricyclo[5.4.0.02,11]undecane-3,5,8,10-tetrone

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=CC(=CN=C2)C3=NC\4=C(C=C3)NN/C4=C\5/N=C6C(=CC=NC6=N5)C7=CC=C(C=C7)F

DOS

IR

Vibrations