Geometry & MOs

Info

ID:	191044
PubChem CID:	78099615
Reduced:	NO6H17C21 (1)
Stoich.:	AB6C17D21 (1)
Weight, g/mol:	324.099774
ΔH_f, kcal/mol:	-102.91
Dipole, Da:	6.57
IP(EA), eV:	-9.57(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4'-(furan-2-yl)-2-oxospiro[1-benzofuran-3,5'-cyclopentene]-1'-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CCC(C12C3=CC=CC=C3OC2=O)C4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations