Geometry & MOs

Info

ID:	387750
PubChem CID:	134986722
Reduced:	BrO3C9H13 (1)
Stoich.:	AB3C9D13 (1)
Weight, g/mol:	262.115584
ΔH_f, kcal/mol:	-117.62
Dipole, Da:	1.46
IP(EA), eV:	-10.47(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-6-chloro-3,5-dimethyl-5-trimethylsilyloxyhept-2-en-4-one

Drug info:

PubChemData

Smile

CCCC(=O)C1(CC1C(=O)OC)Br

DOS

IR

Vibrations