Geometry & MOs

Info

ID:	441210
PubChem CID:	135233627
Reduced:	BrOH23C36 (1)
Stoich.:	ABC23D36 (1)
Weight, g/mol:	663.242296
ΔH_f, kcal/mol:	116.7
Dipole, Da:	0.24
IP(EA), eV:	-9.03(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[3-[3-(4-cyanophenyl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC(=C2)C3=CC=C(C=C3)C4=CC5=C(C=C4)OC6=C5C(=CC=C6)Br)C7=CC=CC=C7

DOS

IR

Vibrations