Geometry & MOs

Info

ID:

377387

PubChem CID:

134223437

Reduced:

N2O3H34C60 (1)

Stoich.:

A2B3C34D60 (1)

Weight, g/mol:

796.254835

ΔHf, kcal/mol:

180.73

Dipole, Da:

3.49

IP(EA), eV:

 -8.03(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-dibenzothiophen-2-yl-10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-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=C5C=C7C8=CC=CC=C8OC7=C6)C9=CC=C(C=C9)C1=CC=CC3=C1OC1=CC=CC=C31)C1=C2C=C2C(=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations