Geometry & MOs

Info

ID:	231470
PubChem CID:	87573816
Reduced:	SiO4C13H21 (1)
Stoich.:	AB4C13D21 (1)
Weight, g/mol:	272.144386
ΔH_f, kcal/mol:	-159.63
Dipole, Da:	7.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751932
Charge, e:	0

Chem-info

IUPAC name:

(E)-5-[diethyl(propan-2-yl)silyl]oxy-2-methyl-5-oxopent-2-enoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations