Geometry & MOs

Info

ID:	302716
PubChem CID:	124393364
Reduced:	N3O7C23H23 (1)
Stoich.:	A3B7C23D23 (1)
Weight, g/mol:	439.141973
ΔH_f, kcal/mol:	-153.32
Dipole, Da:	9.09
IP(EA), eV:	-8.79(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,2R,3aR)-2-(furan-2-yl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1-carboxylate

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)/C=C\2/C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)[N+](=O)[O-])OCC

DOS

IR

Vibrations