Geometry & MOs

Info

ID:

399852

PubChem CID:

135043141

Reduced:

CH (11)

Stoich.:

AB (11)

Weight, g/mol:

231.95964

ΔHf, kcal/mol:

65.57

Dipole, Da:

0.56

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.189166

Charge, e:

 0

Chem-info

IUPAC name:

1-iodopropan-2-yloxymethanediol

Drug info:

PubChemData

Smile

C[C+](C=C=C)C1=CC=CC=C1

DOS

IR

Vibrations