Geometry & MOs

Info

ID:

428761

PubChem CID:

135168093

Reduced:

N3H47C78 (1)

Stoich.:

A3B47C78 (1)

Weight, g/mol:

1042.338171

ΔHf, kcal/mol:

391.19

Dipole, Da:

1.11

IP(EA), eV:

 -8.05(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzothiophen-2-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=C5C=C(C=C7)N(C8=CC=C(C=C8)N9C1=CC=CC=C1C1=CC=CC=C19)C1=CC=CC2=C1C1=CC=CC=C1C21C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations