Geometry & MOs

Info

ID:

428854

PubChem CID:

135168302

Reduced:

NH17C28 (3)

Stoich.:

AB17C28 (3)

Weight, g/mol:

1101.408299

ΔHf, kcal/mol:

382.95

Dipole, Da:

0.82

IP(EA), eV:

 -7.98(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC=C(C=C4)N(C5=CC6=C(C=C5)C7=C(C68C9=CC=CC=C9C1=CC=CC=C81)C=CC1=CC=CC=C17)C1=CC=CC3=C1C1=CC=CC=C1C31C3=CC=CC=C3N3C4=CC=CC=C4C4=C3C1=CC=C4)C1=CC=CC=C12

DOS

IR

Vibrations