Geometry & MOs

Info

ID:	394729
PubChem CID:	135023656
Reduced:	Si7O11C33H78 (1)
Stoich.:	A7B11C33D78 (1)
Weight, g/mol:	378.04806
ΔH_f, kcal/mol:	-894.37
Dipole, Da:	1.49
IP(EA), eV:	-9.6(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hex-5-yn-2-yl-3-(4-iodophenyl)cyclohex-2-en-1-one

Drug info:

PubChemData

Smile

C[Si](C)(C)OC[C@@H]1[C@H](C(C([C@H](O1)O[C@@H]2C(C([C@@H](C(O2)CO)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C

DOS

IR

Vibrations