Geometry & MOs

Info

ID:

377677

PubChem CID:

134223741

Reduced:

ON2H42C60 (1)

Stoich.:

AB2C42D60 (1)

Weight, g/mol:

930.361014

ΔHf, kcal/mol:

184.69

Dipole, Da:

2.93

IP(EA), eV:

 -7.9(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-[5-(9,9-diphenylfluoren-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N4C5=C(C=C(C=C5)C6=CC7=C(C=C6)N(C8=C7C=C9C1=CC=CC=C1OC9=C8)C1=CC=CC=C1)C1=CC2=C(C=C14)C(C1=CC=CC=C12)(C)C)C

DOS

IR

Vibrations