Geometry & MOs

Info

ID:

329016

PubChem CID:

126730492

Reduced:

N4H36C49 (1)

Stoich.:

A4B36C49 (1)

Weight, g/mol:

890.290643

ΔHf, kcal/mol:

207.81

Dipole, Da:

2.75

IP(EA), eV:

 -8.04(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]-5-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=CC(=NC(=N2)C3=CC=CC=C3C)C4=C(C=C(C=C4)N5C6=C(C=C(C=C6)N7C8=CC=CC=C8C9=CC=CC=C97)C1=CC=CC=C15)C

DOS

IR

Vibrations