Geometry & MOs

Info

ID:

377678

PubChem CID:

134223742

Reduced:

ON2H46C70 (1)

Stoich.:

AB2C46D70 (1)

Weight, g/mol:

690.267114

ΔHf, kcal/mol:

253.69

Dipole, Da:

2.86

IP(EA), eV:

 -7.95(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=C(N4C6=CC7=C(C=C6)C8=CC=CC=C8C7(C9=CC=CC=C9)C1=CC=CC=C1)C=CC(=C5)C1=CC2=C(C=C1)N(C1=C2C=C2C3=CC=CC=C3OC2=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations