Geometry & MOs

Info

ID:

319492

PubChem CID:

126656355

Reduced:

ON5H31C51 (1)

Stoich.:

AB5C31D51 (1)

Weight, g/mol:

744.288912

ΔHf, kcal/mol:

253.72

Dipole, Da:

1.34

IP(EA), eV:

 -8.24(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(4-carbazol-9-ylphenyl)-12-(5-methyl-2,6-diphenyl-4,5-dihydropyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)N3C4=CC=CC=C4C5=C(C=C6C7=CC=CC=C7OC6=C53)C8=CC=C(C=C8)N9C1=CC=CC=C1C1=CC=CC=C19)C1=CC=CC=C1

DOS

IR

Vibrations