Geometry & MOs

Info

ID:

377371

PubChem CID:

134223421

Reduced:

O2N5H33C57 (1)

Stoich.:

A2B5C33D57 (1)

Weight, g/mol:

894.299476

ΔHf, kcal/mol:

244.17

Dipole, Da:

1.76

IP(EA), eV:

 -8.19(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-(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)C2=NC(=NC(=N2)N3C4=CC=CC=C4C5=CC6=C(C=C53)OC7=C6C=C(C=C7)C8=CC9=C(C=C8)N(C1=C9C=C2C3=CC=CC=C3OC2=C1)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations