Geometry & MOs

Info

ID:	403164
PubChem CID:	135059027
Reduced:	NO8C14H15 (1)
Stoich.:	AB8C14D15 (1)
Weight, g/mol:	265.058637
ΔH_f, kcal/mol:	-212.43
Dipole, Da:	4.56
IP(EA), eV:	-9.92(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2a-ethyl-4-methoxy-6-nitro-7bH-oxeto[3,2-b][1]benzofuran-2-one

Drug info:

PubChemData

Smile

CCC(C(=O)OC(=O)C)OC1=C(C=C(C=C1OC)[N+](=O)[O-])C=O

DOS

IR

Vibrations