Geometry & MOs

Info

ID:

425914

PubChem CID:

135131082

Reduced:

N3C23H23 (1)

Stoich.:

A3B23C23 (1)

Weight, g/mol:

889.389295

ΔHf, kcal/mol:

72.52

Dipole, Da:

2.78

IP(EA), eV:

 -7.97(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[2,6-bis(1,8-dimethylcarbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6,10-dimethyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene

Drug info:

PubChemData

Smile

C[C@H]1N(C2=C(N1C3=CC=CC=C3C)C4=C(CC5=C4C=CC(=N5)C)C=C2)C

DOS

IR

Vibrations