Geometry & MOs

Info

ID:

429653

PubChem CID:

135169703

Reduced:

ON5H27C44 (1)

Stoich.:

AB5C27D44 (1)

Weight, g/mol:

492.199777

ΔHf, kcal/mol:

224.97

Dipole, Da:

4.1

IP(EA), eV:

 -8.23(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1Z)-3-N-[6-(4-ethyltriazol-2-yl)-5-methylpyridin-3-yl]-2-[N-quinolin-5-yl-C-(trifluoromethyl)carbonimidoyl]buta-1,3-diene-1,3-diamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC(=CC=C3)N4C5=C(C=CC6=CC=CC=C65)C7=C4C8=C(C=C7)N=C(O8)C9=CC=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations