Geometry & MOs

Info

ID:

445161

PubChem CID:

135264707

Reduced:

NOC8H9 (2)

Stoich.:

ABC8D9 (2)

Weight, g/mol:

1642.592746

ΔHf, kcal/mol:

-27.98

Dipole, Da:

4.96

IP(EA), eV:

-8.24(-0.53)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

3-[2-[3-(3-carbazol-9-ylphenyl)-6-[3-[4-[3-[3-[9-[4-(3-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-2-yl]-6-phenylcarbazol-9-yl]phenyl]carbazol-9-yl]phenyl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NCCCN/C=C\2/C=CC=CC2=O)O

DOS

IR

Vibrations