Geometry & MOs

Info

ID:

377666

PubChem CID:

134223730

Reduced:

SN2H17C29 (2)

Stoich.:

AB2C17D29 (2)

Weight, g/mol:

818.304562

ΔHf, kcal/mol:

289.11

Dipole, Da:

1.67

IP(EA), eV:

 -8.06(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-7-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)N3C4=C(C=C(C=C4)C5=CC6=C(C=C5)N(C7=C6C=C8C9=CC=CC=C9SC8=C7)C1=CC=CC=C1)C1=C3C=C2C(=C1)C1=CC=CC=C1S2)C1=CC=CC=C1

DOS

IR

Vibrations