Geometry & MOs

Info

ID:

318706

PubChem CID:

126652793

Reduced:

N2H27C38 (2)

Stoich.:

A2B27C38 (2)

Weight, g/mol:

1164.433116

ΔHf, kcal/mol:

321.53

Dipole, Da:

3.55

IP(EA), eV:

 -7.95(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4'-[10-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthren-3-yl]-9,9'-spirobi[fluorene]-2-yl]-spiro[4,4a-dihydrofluorene-9,9'-fluorene]-2-ylmethanone

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)N(C5=CC=CC=C5)C6=CC=C(C=C6)C7=CC=C(C=C7)N8C9=CC=CC=C9C2=C(C=CC=C28)C2=CC=C(C=C2)N(C)C2=CC=CC=C2)C2=C1C1=CC=CC=C1C1=CC=CC=C12

DOS

IR

Vibrations