Geometry & MOs

Info

ID:

329033

PubChem CID:

126730692

Reduced:

N2H20C25 (2)

Stoich.:

A2B20C25 (2)

Weight, g/mol:

842.315795

ΔHf, kcal/mol:

197.09

Dipole, Da:

0.95

IP(EA), eV:

 -7.68(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2,6-diphenylpyrimidin-4-yl)-5-[4-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]benzene-1,3-dicarbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C)C3=CC4=C(C=C3)N(C5=CC=CC=C54)C6=CC=C(C=C6)C7=CC(=NC(=N7)C8=CC=CC=C8C)C9=CC=CC=C9C

DOS

IR

Vibrations