Geometry & MOs

Info

ID:	150369
PubChem CID:	53790058
Reduced:	NO6C14H15 (1)
Stoich.:	AB6C14D15 (1)
Weight, g/mol:	522.152597
ΔH_f, kcal/mol:	-123.59
Dipole, Da:	9.03
IP(EA), eV:	-9.63(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-dioxo-2-benzofuran-5-carbonyl)oxydecyl 1,3-dioxo-2-benzofuran-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)CC1=C(C=CC=C1OCC=C)[N+](=O)[O-]

DOS

IR

Vibrations