Geometry & MOs

Info

ID:

439712

PubChem CID:

135229515

Reduced:

ON2H56C88 (1)

Stoich.:

AB2C56D88 (1)

Weight, g/mol:

1019.412715

ΔHf, kcal/mol:

350.64

Dipole, Da:

2.91

IP(EA), eV:

 -7.96(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3,5-diphenylphenyl)-9,9-dimethyl-N-[4-(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

C1=CC=C(C=C1)C2(C3=C(C=C(C=C3)N(C4=CC=C(C=C4)C5=CC6=C(C=C5)N(C7=CC=CC=C76)C8=CC=CC=C8)C9=CC=C(C=C9)C1=CC3=C(C=C1)C1=CC=CC=C1C31C3=C(C4=CC=CC=C4C=C3)OC3=C1C=CC1=CC=CC=C13)C1=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations