Geometry & MOs

Info

ID:

317164

PubChem CID:

126632699

Reduced:

ON3H25C43 (2)

Stoich.:

AB3C25D43 (2)

Weight, g/mol:

1046.336925

ΔHf, kcal/mol:

369.96

Dipole, Da:

2.49

IP(EA), eV:

 -8.09(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-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)N(C6=CC=CC=C65)C7=CC8=C(C=C7)N=C(N=C8N9C1=C(C=C(C=C1)C1=CC3=C(C=C1)OC1=CC=CC=C13)C1=CC=CC=C19)N1C3=C(C=C(C=C3)C3=CC4=C(C=C3)OC3=CC=CC=C34)C3=CC=CC=C31)C1=CC=CC=C12

DOS

IR

Vibrations