Geometry & MOs

Info

ID:	335567
PubChem CID:	127254429
Reduced:	O2N4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	589.190066
ΔH_f, kcal/mol:	-7.7
Dipole, Da:	1.43
IP(EA), eV:	-8.8(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-1-benzoyl-7-fluoro-2-(2,3,4-trimethoxyphenyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione

Drug info:

PubChemData

Smile

CN1C=CN=C1C(=O)C2=CC(=CC=C2)NC(=O)CCCCCN3C=CC=C3

DOS

IR

Vibrations