Geometry & MOs

Info

ID:

408188

PubChem CID:

135080948

Reduced:

BrNO2C11H18 (1)

Stoich.:

ABC2D11E18 (1)

Weight, g/mol:

1318.623392

ΔHf, kcal/mol:

-105.22

Dipole, Da:

4.32

IP(EA), eV:

-9.41(-0.49)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

6,7,15,16,24,25-hexakis(4-tert-butylphenoxy)-1-chloro-11,20,29,30,31-pentaza-2-azonia-1-boranuidanonacyclo[17.10.1.13,28.02,10.04,9.012,30.013,18.021,29.022,27]hentriaconta-2(10),3(31),4,6,8,11,13,15,17,19,21,23,25,27-tetradecaene

Drug info:

PubChemData

Smile

CCCCCC/C=C(/N1CCOC1=O)\Br

DOS

IR

Vibrations