Geometry & MOs

Info

ID:

82066

PubChem CID:

49855551

Reduced:

Si2O10C45H76 (1)

Stoich.:

A2B10C45D76 (1)

Weight, g/mol:

284.200097

ΔHf, kcal/mol:

-566.19

Dipole, Da:

2.42

IP(EA), eV:

 -8.68(0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-methyl-N-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C[C@@H]1/C=C/[C@H]2[C@@H]([C@@H]3C[C@H]([C@@H](O3)[C@H](C[C@@H](C)C=O)O[Si](C)(C)C(C)(C)C)OC(=O)[C@H]([C@@H]([C@@H]([C@H]1C)OCC4=CC=C(C=C4)OC)O[Si](C)(C)C(C)(C)C)C)OC(O2)(C)C

DOS

IR

Vibrations