Geometry & MOs

Info

ID:

439939

PubChem CID:

135229795

Reduced:

NOH53C78 (1)

Stoich.:

ABC53D78 (1)

Weight, g/mol:

1019.412715

ΔHf, kcal/mol:

262.65

Dipole, Da:

0.77

IP(EA), eV:

 -7.93(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3,5-diphenylphenyl)-9,9-dimethyl-N-[3-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)phenyl]fluoren-3-amine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=CC(=C4)C5=CC=C(C=C5)C6=CC7=C(C=C6)C8=CC=CC=C8C79C1=C(C2=CC=CC=C2C=C1)OC1=C9C=CC2=CC=CC=C21)C1=CC(=CC(=C1)C1=CC=CC=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations