Geometry & MOs

Info

ID:

449699

PubChem CID:

135300745

Reduced:

OH46C51 (1)

Stoich.:

AB46C51 (1)

Weight, g/mol:

1193.553566

ΔHf, kcal/mol:

136.61

Dipole, Da:

1.42

IP(EA), eV:

 -8.71(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(50-oxatridecacyclo[29.14.1.11,14.16,9.116,29.131,44.02,7.08,13.016,46.017,22.023,28.032,37.038,43]pentaconta-2(7),3,5,8(13),9,11,17,19,21,23,25,27,32,34,36,38,40,42-octadecaen-5-yl)phenyl]-7-phenylfluoren-2-amine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=CC=CC=C2C34CCCC56C3C7(CC(C4)C8=CC=CC=C8C9=CC=CC=C97)CC(C5)C1=CC=CC=C1C1=C6C(=CC=C1)OC

DOS

IR

Vibrations