Geometry & MOs

Info

ID:

162879

PubChem CID:

57578242

Reduced:

NOH7C13 (2)

Stoich.:

ABC7D13 (2)

Weight, g/mol:

848.481798

ΔHf, kcal/mol:

142.8

Dipole, Da:

3.2

IP(EA), eV:

 -9.42(-2.86)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

4,5,9,10,14,15,19,20-octaethyl-7,12,17,24-tetraphenyl-22,25-diaza-2,23-diazoniaoctacyclo[11.9.1.11,8.13,21.02,6.016,23.018,22.011,25]pentacosa-2(6),3(24),4,7,9,11,13(23),14,16,18,20-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C(=C(C3=CC(=C(C#N)C#N)C=C32)C4=CC=CC=C4)C=O)C=O

DOS

IR

Vibrations