Geometry & MOs

Info

ID:	397001
PubChem CID:	135029572
Reduced:	O2H9C10 (2)
Stoich.:	A2B9C10 (2)
Weight, g/mol:	249.116507
ΔH_f, kcal/mol:	-123.17
Dipole, Da:	1.97
IP(EA), eV:	-9.2(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6'-fluoro-2'-methoxyspiro[cyclohexane-1,3'-isoindole]-1'-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC=C2C3=CC=CC=C31)C(=O)OCC

DOS

IR

Vibrations