Geometry & MOs

Info

ID:

377715

PubChem CID:

134223779

Reduced:

ON2H34C51 (1)

Stoich.:

AB2C34D51 (1)

Weight, g/mol:

630.21297

ΔHf, kcal/mol:

176.68

Dipole, Da:

3.96

IP(EA), eV:

 -8.03(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-(7,7-dimethyl-5H-indeno[2,1-b]carbazol-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole

Drug info:

PubChemData

Smile

CC1(C2=C(C3=CC=CC=C31)C4=C(C=C2)N(C5=C4C=C(C=C5)C6=CC7=C(C=C6)C8=C(N7C9=CC=CC=C9)C=CC1=C8C2=CC=CC=C2O1)C1=CC=CC=C1)C

DOS

IR

Vibrations