Geometry & MOs

Info

ID:	221347
PubChem CID:	85267799
Reduced:	SiO4C23H38 (1)
Stoich.:	AB4C23D38 (1)
Weight, g/mol:	406.253936
ΔH_f, kcal/mol:	-205.73
Dipole, Da:	4.94
IP(EA), eV:	-8.61(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylmethoxyoxan-2-one

Drug info:

PubChemData

Smile

CC(CO[Si](C)(C)C(C)(C)C)C(C(C)C#CCOCC1=CC=C(C=C1)OC)O

DOS

IR

Vibrations