Geometry & MOs

Info

ID:

377377

PubChem CID:

134223427

Reduced:

OSN2H28C48 (1)

Stoich.:

ABC2D28E48 (1)

Weight, g/mol:

818.304562

ΔHf, kcal/mol:

187.7

Dipole, Da:

2.28

IP(EA), eV:

 -8.15(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-[7,7-dimethyl-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazol-2-yl]-7-phenyl-[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)SC6=C5C=C7C8=CC=CC=C8N(C7=C6)C9=CC=CC=C9)C1=C2C=C2C(=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations