Geometry & MOs

Info

ID:	335959
PubChem CID:	127254966
Reduced:	ClFN2O3C15H17 (1)
Stoich.:	ABC2D3E15F17 (1)
Weight, g/mol:	589.165601
ΔH_f, kcal/mol:	-123.03
Dipole, Da:	9.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.847331
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-7-chloro-2-(2,5-dimethoxyphenyl)-1-(4-methylbenzoyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione

Drug info:

PubChemData

Smile

CC1=C([N+](=C(N1O)C(CC(=O)O)C2=C(C=C(C=C2)F)Cl)C)C

DOS

IR

Vibrations