Geometry & MOs

Info

ID:

445163

PubChem CID:

135264738

Reduced:

N3H26C43 (2)

Stoich.:

A3B26C43 (2)

Weight, g/mol:

794.27941

ΔHf, kcal/mol:

437.23

Dipole, Da:

6.15

IP(EA), eV:

 -8.24(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[6-(4-cyanophenyl)-2-[2-ethenyl-6-(9-phenylcarbazol-3-yl)-3-[(Z)-prop-1-enyl]indol-1-yl]pyrimidin-4-yl]dibenzofuran-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)C6=C(N5C7=CC=C(C=C7)C8=CC=C(C=C8)C#N)C=CC(=C6)C9=CC(=CC=C9)N1C3=C(C=C(C=C3)C3=CC4=C(C=C3)C3=CC=CC=C3N4C3=CC=CC(=C3)C3=CC=C(C=C3)C#N)C3=CC=CC=C31)C1=CC=CC=C12

DOS

IR

Vibrations