Geometry & MOs

Info

ID:

442528

PubChem CID:

135252706

Reduced:

N6H30C49 (1)

Stoich.:

A6B30C49 (1)

Weight, g/mol:

607.139528

ΔHf, kcal/mol:

302.2

Dipole, Da:

8.76

IP(EA), eV:

 -8.05(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-([1]benzofuro[2,3-b]carbazol-7-yl)-2-[4-(2,3,4-trifluorophenyl)phenyl]chromen-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC5=C(C=C42)N(C6=C5C=C(C=C6)C7=CC=C(C=C7)N8C9=CC=CC=C9N=N8)C1=CC=C(C=C1)C1=CC=CC=C1C#N

DOS

IR

Vibrations