Geometry & MOs

Info

ID:

440009

PubChem CID:

135229880

Reduced:

NOH45C70 (1)

Stoich.:

ABC45D70 (1)

Weight, g/mol:

915.350115

ΔHf, kcal/mol:

264.01

Dipole, Da:

0.32

IP(EA), eV:

 -8.03(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,9,9-triphenyl-N-(3-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]-3'-ylphenyl)fluoren-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=C2C=C(C=C4)N(C5=CC=CC=C5)C6=CC=CC(=C6)C7=CC8=C(C=C7)C9(C1=C(C2=CC=CC=C2C=C1)OC1=C9C=CC2=CC=CC=C21)C1=CC=CC=C18)C1=CC=CC=C1

DOS

IR

Vibrations