Geometry & MOs

Info

ID:

410059

PubChem CID:

135082848

Reduced:

AlO3C13H20 (1)

Stoich.:

AB3C13D20 (1)

Weight, g/mol:

844.14345

ΔHf, kcal/mol:

-115.5

Dipole, Da:

2.46

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.757495

Charge, e:

 -1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1C=C([Al-]O1)C23C(C[C@@H](CC2(O3)C)O)(C)C

DOS

IR

Vibrations