Geometry & MOs

Info

ID:

386749

PubChem CID:

134982780

Reduced:

OH19C25 (2)

Stoich.:

AB19C25 (2)

Weight, g/mol:

388.193949

ΔHf, kcal/mol:

107.75

Dipole, Da:

3.19

IP(EA), eV:

 -8.52(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-11,22-diazahexacyclo[20.6.1.14,11.05,10.014,19.023,28]triaconta-1(29),2,4(30),5,7,9,14,16,18,23,25,27-dodecaene

Drug info:

PubChemData

Smile

C1C2=CC=C(COC3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)OCC7=CC=C(CC8=CC=C(C=C8)/C=C\C9=CC=C1C=C9)C=C7)C=C2

DOS

IR

Vibrations