Geometry & MOs

Info

ID:

325189

PubChem CID:

126681866

Reduced:

N5H33C53 (1)

Stoich.:

A5B33C53 (1)

Weight, g/mol:

739.273596

ΔHf, kcal/mol:

299.12

Dipole, Da:

2.01

IP(EA), eV:

 -8.41(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=C4C=CC=CC4=C(C5=CC=CC=C53)C6=NC(=NC(=N6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC1=CC=CC=C1C1=CC=CC=C19

DOS

IR

Vibrations