Geometry & MOs

Info

ID:

395144

PubChem CID:

135024735

Reduced:

IO2C15H22 (1)

Stoich.:

AB2C15D22 (1)

Weight, g/mol:

361.06645

ΔHf, kcal/mol:

-54.44

Dipole, Da:

3.64

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.839806

Charge, e:

 -1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC1CCCCC1[I-]2(C[C@@H]2C3=CC=CC=C3)O

DOS

IR

Vibrations