Geometry & MOs

Info

ID:

393916

PubChem CID:

135021955

Reduced:

N7C51H55 (1)

Stoich.:

A7B51C55 (1)

Weight, g/mol:

599.232125

ΔHf, kcal/mol:

188.15

Dipole, Da:

4.29

IP(EA), eV:

 -8.96(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5,6-bis(3-phenylmethoxyphenyl)-3-(6-pyridin-2-ylpyridin-2-yl)-1,2,4-triazine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C2=C(N=NC(=N2)C3=NC(=CC=C3)C4=NC(=C(N=N4)C5=CC=C(C=C5)C(C)(C)C)C6=CC=C(C=C6)C(C)(C)C)C7=CC=C(C=C7)C(C)(C)C

DOS

IR

Vibrations