Geometry & MOs

Info

ID:

429543

PubChem CID:

135169592

Reduced:

ON5H31C50 (1)

Stoich.:

AB5C31D50 (1)

Weight, g/mol:

494.12267

ΔHf, kcal/mol:

246.3

Dipole, Da:

3.46

IP(EA), eV:

 -8.22(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E)-2-(aminomethylidene)-N-[5-cyano-6-(triazol-2-yl)pyridin-3-yl]-4,4,4-trifluoro-3-(5-fluoronaphthalen-1-yl)iminobutanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC(=C3)C4=CC(=CC=C4)N5C6=C(C7=C5C8=C(C=C7)N=C(O8)C9=CC=CC=C9)C1=CC=CC=C1C=C6)C1=CC=CC=C1

DOS

IR

Vibrations