Geometry & MOs

Info

ID:

428760

PubChem CID:

135168090

Reduced:

SN2H46C78 (1)

Stoich.:

AB2C46D78 (1)

Weight, g/mol:

1025.376999

ΔHf, kcal/mol:

437.03

Dipole, Da:

3.04

IP(EA), eV:

 -7.75(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-carbazol-9-ylphenyl)-N-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-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=C2C(=C1)C(=CC3=C2C4=CC=CC=C4C35C6=CC=CC=C6C7=CC=CC=C57)N(C8=CC=C(C=C8)C9=CC1=C(C=C9)C2=CC=CC=C2S1)C1=CC2=C(C=C1)C1=CC=CC=C1C21C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations