Geometry & MOs

Info

ID:

411753

PubChem CID:

135084587

Reduced:

BNOC9H13 (1)

Stoich.:

ABCD9E13 (1)

Weight, g/mol:

351.94167

ΔHf, kcal/mol:

-40.89

Dipole, Da:

7.42

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.904337

Charge, e:

 0

Chem-info

IUPAC name:

octane-1,1-diol;rhodium

Drug info:

PubChemData

Smile

B1([NH+](CCO1)C)C2=CC=CC=C2

DOS

IR

Vibrations