Geometry & MOs

Info

ID:

439946

PubChem CID:

135229802

Reduced:

NOSH35C57 (1)

Stoich.:

ABCD35E57 (1)

Weight, g/mol:

840.314064

ΔHf, kcal/mol:

210.0

Dipole, Da:

1.99

IP(EA), eV:

 -7.96(-0.74)

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]-3'-ylcarbazol-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC4=C(C=C3)C5(C6=C(C7=CC=CC=C7C=C6)OC8=C5C=CC9=CC=CC=C98)C1=CC=CC=C14)C1=CC2=C(C=C1)SC1=CC=CC=C12

DOS

IR

Vibrations