Geometry & MOs

Info

ID:

377561

PubChem CID:

134223619

Reduced:

ON2H38C57 (1)

Stoich.:

AB2C38D57 (1)

Weight, g/mol:

844.320212

ΔHf, kcal/mol:

197.37

Dipole, Da:

2.69

IP(EA), eV:

 -7.9(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=C(N4C6=CC=CC=C6C7=CC=CC=C7)C=CC(=C5)C8=CC9=C(C=C8)N(C1=C9C=C2C3=CC=CC=C3OC2=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations