Geometry & MOs

Info

ID:	398734
PubChem CID:	135035144
Reduced:	O4H8C9 (2)
Stoich.:	A4B8C9 (2)
Weight, g/mol:	295.095691
ΔH_f, kcal/mol:	-226.29
Dipole, Da:	6.66
IP(EA), eV:	-8.78(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=CC2=C1OCO2)CO)C3=C(C4=C(C=C3C=O)OCO4)OC

DOS

IR

Vibrations