Geometry & MOs

Info

ID:

400284

PubChem CID:

135047254

Reduced:

BrO2H14C15 (1)

Stoich.:

AB2C14D15 (1)

Weight, g/mol:

431.085619

ΔHf, kcal/mol:

-20.15

Dipole, Da:

1.34

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.902965

Charge, e:

 0

Chem-info

IUPAC name:

carbon monoxide;chromium;3-[(4,5-dimethoxy-2-trimethylsilylphenyl)methylideneamino]propan-1-ol

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@H]([C]2[CH][CH][CH][C]2Br)OC(=O)C

DOS

IR

Vibrations