Geometry & MOs

Info

ID:

449719

PubChem CID:

135300897

Reduced:

NH19C24 (3)

Stoich.:

AB19C24 (3)

Weight, g/mol:

1051.475316

ΔHf, kcal/mol:

472.41

Dipole, Da:

1.37

IP(EA), eV:

 -8.29(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(51-oxatridecacyclo[29.15.1.11,14.16,9.116,29.131,45.02,7.08,13.016,47.017,22.023,28.032,37.038,43]henpentaconta-2(7),3,5,8(13),9,11,17,19,21,23,25,27,32,34,36,38,40,42-octadecaen-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

Drug info:

PubChemData

Smile

C1CC23CC4CC5(C2C6(CC1CC7=CC=CC=C7C8=CC=CC=C38)CC(C5)C9=CC=CC=C9C1=CC=CC(=C61)C1=CC=C(C=C1)C1=NC(=NC(=N1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1C1=CC=CC=C41

DOS

IR

Vibrations