Geometry & MOs

Info

ID:

297653

PubChem CID:

117624861

Reduced:

N5H29C44 (1)

Stoich.:

A5B29C44 (1)

Weight, g/mol:

362.053031

ΔHf, kcal/mol:

257.7

Dipole, Da:

9.11

IP(EA), eV:

 -8.32(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(5-chloropyridin-2-yl)-2-methyl-6-(1-methyl-5,6-dioxo-4H-pyridazin-4-yl)-1,2,4-triazine-3,5-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=C(C=C2)C#N)C3=CC=C(C=C3)N4C5=C(C6=CC=CC=C64)C(=CC=C5)N(C7=CC=CC=C7)C8=CC=C(C=C8)C#N

DOS

IR

Vibrations