Geometry & MOs

Info

ID:	398736
PubChem CID:	135035152
Reduced:	FN3O3H10C15 (1)
Stoich.:	AB3C3D10E15 (1)
Weight, g/mol:	295.095691
ΔH_f, kcal/mol:	21.08
Dipole, Da:	3.89
IP(EA), eV:	-9.85(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,8bS)-3-ethenyl-6-methyl-3a-nitro-3,8b-dihydro-2H-cyclopenta[b][1]benzofuran-1,1-dicarbonitrile

Drug info:

PubChemData

Smile

C=CC1CC([C@@H]2[C@]1(OC3=C2C=C(C=C3)F)[N+](=O)[O-])(C#N)C#N

DOS

IR

Vibrations