Geometry & MOs

Info

ID:

442988

PubChem CID:

135257295

Reduced:

N5H63C68 (1)

Stoich.:

A5B63C68 (1)

Weight, g/mol:

1003.530145

ΔHf, kcal/mol:

265.35

Dipole, Da:

7.33

IP(EA), eV:

 -8.05(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-[3,5-bis(1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-5-yl)phenyl]phenyl]-3-N-cyclohexyl-3-N,6-N,6-N-triphenylcarbazole-3,6-diamine

Drug info:

PubChemData

Smile

C1CCCCC(CCCC1)C23CCC(CC2C4=C(N3C5=CC=C(C=C5)C=C(C#N)C#N)C=CC(=C4)C6=CC=C(C=C6)N(C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=C(C=C9)N(C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations