Geometry & MOs

Info

ID:

439771

PubChem CID:

135229591

Reduced:

NOH59C90 (1)

Stoich.:

ABC59D90 (1)

Weight, g/mol:

1153.428365

ΔHf, kcal/mol:

337.5

Dipole, Da:

1.25

IP(EA), eV:

 -8.03(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-diphenylfluoren-4-yl)-N-(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)-9,9'-spirobi[fluorene]-3-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC2=CC=CC=C12)C3(C4=CC=CC=C4C5=C(C=CC=C53)C6=CC=C(C=C6)N(C7=CC8=C(C=C7)C9=CC=CC=C9C81C2=CC=CC=C2C2=CC=CC=C12)C1=CC=CC2=C1C1=CC=CC=C1C2(C1=CC=CC=C1)C1=CC=CC=C1)C1=C(C2=CC=CC=C2C=C1)O

DOS

IR

Vibrations