Geometry & MOs

Info

ID:	325193
PubChem CID:	126681896
Reduced:	ClN3H16C27 (1)
Stoich.:	AB3C16D27 (1)
Weight, g/mol:	639.242296
ΔH_f, kcal/mol:	153.27
Dipole, Da:	4.39
IP(EA), eV:	-8.96(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)Cl)C3=NC4=CC=CC=C4C5=C3C=CC6=CC=CC=C65

DOS

IR

Vibrations