Geometry & MOs

Info

ID:

316785

PubChem CID:

126631771

Reduced:

N11H85C130 (1)

Stoich.:

A11B85C130 (1)

Weight, g/mol:

1801.697546

ΔHf, kcal/mol:

643.29

Dipole, Da:

1.75

IP(EA), eV:

 -7.57(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4,6-bis[3-[(9-phenylcarbazol-3-yl)-(9-phenylcarbazol-4-yl)amino]phenyl]-1,3,5-triazin-2-yl]phenyl]-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)N(C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC=CC=C7)C8=CC=CC(=C8)C9=CC(=NC(=N9)C1=CC(=CC=C1)N(C1=CC3=C(C=C1)N(C1=CC=CC=C13)C1=CC=CC=C1)C1=CC3=C(C=C1)N(C1=CC=CC=C13)C1=CC=CC=C1)C1=CC(=CC=C1)N(C1=CC3=C(C=C1)N(C1=CC=CC=C13)C1=CC=CC=C1)C1=CC3=C(C=C1)N(C1=CC=CC=C13)C1=CC=CC=C1)C1=CC=CC=C12

DOS

IR

Vibrations