Geometry & MOs

Info

ID:

316714

PubChem CID:

126631629

Reduced:

N4H33C49 (2)

Stoich.:

A4B33C49 (2)

Weight, g/mol:

1305.528749

ΔHf, kcal/mol:

481.59

Dipole, Da:

2.22

IP(EA), eV:

 -7.77(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[3-[2,6-bis[3-[3-(N-phenylanilino)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-N,N-diphenylcarbazol-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)N(C5=CC=CC=C54)C6=CC=C(C=C6)C7=CC8=C(C=C7)N=C(N=C8C9=CC=C(C=C9)N1C2=C(C=C(C=C2)N(C2=CC=CC=C2)C2=CC=CC=C2)C2=CC=CC=C21)C1=CC=C(C=C1)N1C2=C(C=C(C=C2)N(C2=CC=CC=C2)C2=CC=CC=C2)C2=CC=CC=C21

DOS

IR

Vibrations