Geometry & MOs

Info

ID:

377303

PubChem CID:

134223351

Reduced:

OSN2H28C48 (1)

Stoich.:

ABC2D28E48 (1)

Weight, g/mol:

818.268176

ΔHf, kcal/mol:

190.12

Dipole, Da:

2.67

IP(EA), eV:

 -8.09(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-(4,6-diphenylpyrimidin-2-yl)-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)C6=C(N5C7=CC=CC=C7)C=CC8=C6SC9=CC=CC=C89)C1=C2C=C2C3=CC=CC=C3OC2=C1

DOS

IR

Vibrations