Geometry & MOs

Info

ID:	329313
PubChem CID:	126734514
Reduced:	NC26H31 (1)
Stoich.:	AB26C31 (1)
Weight, g/mol:	1055.348492
ΔH_f, kcal/mol:	108.79
Dipole, Da:	2.46
IP(EA), eV:	-8.09(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C=C/1\C(=C/C=C)\C2=CC=CC=C2C1(/C(=C/C)/C=C)/C(=C/C)/C=C\N(C)C

DOS

IR

Vibrations