Geometry & MOs

Info

ID:

311221

PubChem CID:

126589945

Reduced:

ON2H36C58 (1)

Stoich.:

AB2C36D58 (1)

Weight, g/mol:

742.334799

ΔHf, kcal/mol:

225.43

Dipole, Da:

1.54

IP(EA), eV:

 -8.09(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-[7-[2-methyl-3-(2-methylphenyl)phenyl]-9-phenyl-4b,8a-dihydrocarbazol-3-yl]phenyl]-9-phenylcarbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC=C(C=C4)C5=CC6=C(C=C5)N(C7=C6C=CC(=C7)C8=CC=CC9=C8OC1=CC=CC=C91)C1=CC3=CC=CC=C3C=C1)C1=CC=CC=C12

DOS

IR

Vibrations