Geometry & MOs

Info

ID:

180278

PubChem CID:

76608313

Reduced:

Si7O11C42H80 (1)

Stoich.:

A7B11C42D80 (1)

Weight, g/mol:

394.175339

ΔHf, kcal/mol:

-1104.34

Dipole, Da:

17.67

IP(EA), eV:

 -5.18(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-(1,2-benzoxazol-3-yl)morpholin-4-yl]-3-methyl-6-pyrimidin-4-yl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

C1CCC(CC1)[Si]2O[Si](O[Si]3(O[Si](O[Si](O[Si](O2)(O3)C4CCCCC4)(C5CCCCC5)O[Si](C6CCCCC6)O)(C7CCCCC7)O)C8CCCCC8)(C9CCCCC9)O

DOS

IR

Vibrations