Geometry & MOs

Info

ID:

429125

PubChem CID:

135168912

Reduced:

N2H54C81 (1)

Stoich.:

A2B54C81 (1)

Weight, g/mol:

1014.3974

ΔHf, kcal/mol:

491.72

Dipole, Da:

1.31

IP(EA), eV:

 -7.82(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,9-diphenyl-N-(3-phenylphenyl)-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylnaphthalen-1-yl)fluoren-2-amine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC5=C(C=C4)C6=CC=CC=C6C5(C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=C(C1=CC=CC=C19)C1=CC2=C(C=C1)C1=CC=CC=C1C21C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3)C

DOS

IR

Vibrations