Geometry & MOs

Info

ID:

51928

PubChem CID:

12014697

Reduced:

SiO2C21H30 (1)

Stoich.:

AB2C21D30 (1)

Weight, g/mol:

688.340039

ΔHf, kcal/mol:

-117.36

Dipole, Da:

2.79

IP(EA), eV:

 -8.66(-0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

38,44,45,46-tetrafluoro-35,41-dioxa-1,9,17,25-tetrazaheptacyclo[15.15.5.59,25.13,7.111,15.119,23.127,31]hexatetraconta-3(46),4,6,11(45),12,14,19,21,23(44),27,29,31(38)-dodecaene

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=C(C=CC=C2OC)CO[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations