Geometry & MOs

Info

ID:

50794

PubChem CID:

12013382

Reduced:

BrO7C15H19 (1)

Stoich.:

AB7C15D19 (1)

Weight, g/mol:

679.141208

ΔHf, kcal/mol:

-268.31

Dipole, Da:

6.46

IP(EA), eV:

 -10.65(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dimethyl(1-phenylethyl)azanium;7-hydroxy-9,9,9',9'-tetrakis(trifluoromethyl)-7,7'-spirobi[8-oxa-7-silanuidabicyclo[4.3.0]nona-1,3,5-triene]

Drug info:

PubChemData

Smile

CO[C@H]1[C@@H]2[C@@]3([C@@]2(C(=O)O1)Br)[C@H]([C@@H](OC3=O)OC)OC4CCCC4

DOS

IR

Vibrations