Geometry & MOs

Info

ID:	336214
PubChem CID:	127255221
Reduced:	O3N4C24H24 (1)
Stoich.:	A3B4C24D24 (1)
Weight, g/mol:	559.179501
ΔH_f, kcal/mol:	-35.83
Dipole, Da:	3.3
IP(EA), eV:	-8.09(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-2-(2,5-dimethoxyphenyl)-1-(4-fluorobenzoyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2=C(C=NN2)C(=O)NC3CCCC4=C3NC5=CC=CC=C45)OC

DOS

IR

Vibrations