Geometry & MOs

Info

ID:

377314

PubChem CID:

134223362

Reduced:

O2N5H37C63 (1)

Stoich.:

A2B5C37D63 (1)

Weight, g/mol:

818.268176

ΔHf, kcal/mol:

265.67

Dipole, Da:

2.02

IP(EA), eV:

 -8.17(-1.28)

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-9-yl)-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC(=CC=C3)N4C5=C(C=CC(=C5)C6=CC7=C(C=C6)N(C8=C7C=C9C1=CC=CC=C1OC9=C8)C1=CC=CC=C1)C1=C4C=C2C(=C1)C1=CC=CC=C1O2)C1=CC=CC=C1

DOS

IR

Vibrations