Geometry & MOs

Info

ID:	403056
PubChem CID:	135058546
Reduced:	NO3H21C24 (1)
Stoich.:	AB3C21D24 (1)
Weight, g/mol:	235.048072
ΔH_f, kcal/mol:	-44.36
Dipole, Da:	4.44
IP(EA), eV:	-8.48(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2a-ethyl-6-nitro-7bH-oxeto[3,2-b][1]benzofuran-2-one

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C3=C(O2)C=CC(=C3)O)C(=O)C4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations