Geometry & MOs

Info

ID:	389935
PubChem CID:	134996109
Reduced:	BrO3C9H11 (1)
Stoich.:	AB3C9D11 (1)
Weight, g/mol:	227.987548
ΔH_f, kcal/mol:	-128.28
Dipole, Da:	2.54
IP(EA), eV:	-10.21(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,8-trichlorocyclooctan-1-one

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1C[C@H]2[C@@H]([C@@H]1CC2=O)Br

DOS

IR

Vibrations