Geometry & MOs

Info

ID:

325322

PubChem CID:

126682737

Reduced:

N4H16C25 (1)

Stoich.:

A4B16C25 (1)

Weight, g/mol:

577.215412

ΔHf, kcal/mol:

150.1

Dipole, Da:

3.02

IP(EA), eV:

 -8.22(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)-15-phenyl-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C4C(=C2)C=CC=C4N(C5=NC=NC=C35)C6=CC=CC=N6

DOS

IR

Vibrations