Geometry & MOs

Info

ID:	231859
PubChem CID:	87574801
Reduced:	SiO4C12H19 (1)
Stoich.:	AB4C12D19 (1)
Weight, g/mol:	258.128736
ΔH_f, kcal/mol:	-148.25
Dipole, Da:	4.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751165
Charge, e:	0

Chem-info

IUPAC name:

(E)-5-[butyl(dimethyl)silyl]oxy-2-methyl-5-oxopent-2-enoic acid

Drug info:

PubChemData

Smile

CCCCC=C(C(=O)O)C(C)(C)CC(=O)O[Si]

DOS

IR

Vibrations