Geometry & MOs

Info

ID:

229622

PubChem CID:

87568221

Reduced:

ClSiC10H12 (1)

Stoich.:

ABC10D12 (1)

Weight, g/mol:

268.115818

ΔHf, kcal/mol:

41.43

Dipole, Da:

2.69

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.751404

Charge, e:

 0

Chem-info

IUPAC name:

butane-1,4-diol;2-ethoxy-3-hydroxybutanedioic acid

Drug info:

PubChemData

Smile

C[Si](C)/C(=C/C1=CC=CC=C1)/Cl

DOS

IR

Vibrations