Geometry & MOs

Info

ID:

442422

PubChem CID:

135251934

Reduced:

N3H9C14 (1)

Stoich.:

A3B9C14 (1)

Weight, g/mol:

1231.607452

ΔHf, kcal/mol:

116.5

Dipole, Da:

6.49

IP(EA), eV:

-8.11(-1.16)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

7-[2,6-di(propan-2-yl)phenyl]-18-(2-ethyl-6-propan-2-ylphenyl)-14-(2-propan-2-ylanilino)-11,22,26-tris(2-propan-2-ylphenoxy)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CNC=C4C3=C(C=N2)C=N4

DOS

IR

Vibrations