Geometry & MOs

Info

ID:

316311

PubChem CID:

126630612

Reduced:

N11H103C166 (1)

Stoich.:

A11B103C166 (1)

Weight, g/mol:

2250.843147

ΔHf, kcal/mol:

779.77

Dipole, Da:

5.06

IP(EA), eV:

 -8.13(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[3-[2,6-bis[3-[6-(9-phenylcarbazol-2-yl)-2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-6-(9-phenylcarbazol-2-yl)-2-(9-phenylcarbazol-3-yl)carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)C6=CC=CC=C6N5C7=CC=CC=C7)C8=C2C=C(C=C8)C9=CC1=C(C=C9)N(C2=CC=CC=C21)C1=CC=CC(=C1)C1=CC(=NC(=N1)C1=CC(=CC=C1)N1C2=C(C=C(C=C2)C2=CC3=C(C=C2)C2=C(N3C3=CC=CC=C3)C=CC(=C2)C2=CC3=C(C=C2)C2=CC=CC=C2N3C2=CC=CC=C2)C2=CC=CC=C21)C1=CC(=CC=C1)N1C2=C(C=C(C=C2)C2=CC3=C(C=C2)C2=C(N3C3=CC=CC=C3)C=CC(=C2)C2=CC3=C(C=C2)C2=CC=CC=C2N3C2=CC=CC=C2)C2=CC=CC=C21

DOS

IR

Vibrations