Geometry & MOs

Info

ID:

439885

PubChem CID:

135229741

Reduced:

NOH37C54 (1)

Stoich.:

ABC37D54 (1)

Weight, g/mol:

840.314064

ΔHf, kcal/mol:

171.12

Dipole, Da:

1.33

IP(EA), eV:

 -7.81(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-phenyl-N-(4-phenylphenyl)-N-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]-4'-ylcarbazol-3-amine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=CC=C4)C5=CC6=C(C=C5)C7=CC=CC=C7C68C9=C(C1=CC=CC=C1C=C9)OC1=C8C=CC2=CC=CC=C21)C

DOS

IR

Vibrations