Geometry & MOs

Info

ID:	402411
PubChem CID:	135055866
Reduced:	BrOH13C15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	230.15022
ΔH_f, kcal/mol:	8.83
Dipole, Da:	2.41
IP(EA), eV:	-9.62(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,6S)-2-[tert-butyl(dimethyl)silyl]-6-fluorocyclohexan-1-one

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations