Geometry & MOs

Info

ID:	398735
PubChem CID:	135035150
Reduced:	N3O3H13C16 (1)
Stoich.:	A3B3C13D16 (1)
Weight, g/mol:	299.070619
ΔH_f, kcal/mol:	57.25
Dipole, Da:	3.87
IP(EA), eV:	-9.45(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,8bS)-3-ethenyl-7-fluoro-3a-nitro-3,8b-dihydro-2H-cyclopenta[b][1]benzofuran-1,1-dicarbonitrile

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)O[C@@]3([C@H]2C(CC3C=C)(C#N)C#N)[N+](=O)[O-]

DOS

IR

Vibrations