Geometry & MOs

Info

ID:	398738
PubChem CID:	135035157
Reduced:	N3O3H13C16 (1)
Stoich.:	A3B3C13D16 (1)
Weight, g/mol:	309.111341
ΔH_f, kcal/mol:	57.68
Dipole, Da:	4.34
IP(EA), eV:	-9.57(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,8bS)-3-ethenyl-5,8-dimethyl-3a-nitro-3,8b-dihydro-2H-cyclopenta[b][1]benzofuran-1,1-dicarbonitrile

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)[C@H]3[C@@](O2)(C(CC3(C#N)C#N)C=C)[N+](=O)[O-]

DOS

IR

Vibrations