Geometry & MOs

Info

ID:

377700

PubChem CID:

134223764

Reduced:

ON3H33C54 (1)

Stoich.:

AB3C33D54 (1)

Weight, g/mol:

690.267114

ΔHf, kcal/mol:

222.87

Dipole, Da:

3.78

IP(EA), eV:

 -7.95(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)C6=C(N5C7=CC=CC=C7)C=CC8=C6N(C9=CC=CC=C89)C1=CC=CC=C1)C1=C2C=C2C3=CC=CC=C3OC2=C1

DOS

IR

Vibrations