Geometry & MOs

Info

ID:	335835
PubChem CID:	127254697
Reduced:	O3N4C16H16 (1)
Stoich.:	A3B4C16D16 (1)
Weight, g/mol:	591.08453
ΔH_f, kcal/mol:	-57.25
Dipole, Da:	12.01
IP(EA), eV:	-9.1(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=O)C(=CN2)C(=O)NCCN3C=CN=C3

DOS

IR

Vibrations