Geometry & MOs

Info

ID:

403988

PubChem CID:

135063966

Reduced:

O4C17H22 (1)

Stoich.:

A4B17C22 (1)

Weight, g/mol:

1258.283447

ΔHf, kcal/mol:

-130.64

Dipole, Da:

3.35

IP(EA), eV:

-9.65(0.08)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

1-(4-tert-butylphenoxy)-4,5,9,10,14,15-hexakis[4-(trifluoromethyl)phenyl]-7,12,17,18,19-pentaza-2-azonia-1-boranuidahexacyclo[9.6.1.13,16.02,6.08,18.013,17]nonadeca-2(6),3(19),4,7,9,11,13,15-octaene

Drug info:

PubChemData

Smile

COC(=O)CCC[C@H](C#CCCOCC1=CC=CC=C1)O

DOS

IR

Vibrations