Geometry & MOs

Info

ID:	307253
PubChem CID:	125299287
Reduced:	FNO3C24H28 (1)
Stoich.:	ABC3D24E28 (1)
Weight, g/mol:	397.205322
ΔH_f, kcal/mol:	-148.52
Dipole, Da:	1.92
IP(EA), eV:	-9.82(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclooctyl (2S,6R)-6-(4-fluorophenyl)-3-methyl-4-oxo-2,5,6,7-tetrahydroindole-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C2C(=N[C@H]1C(=O)OC3CCCCCCC3)C[C@@H](CC2=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations