Geometry & MOs

Info

ID:

429594

PubChem CID:

135169643

Reduced:

OF3N10H15C22 (1)

Stoich.:

AB3C10D15E22 (1)

Weight, g/mol:

500.108769

ΔHf, kcal/mol:

42.62

Dipole, Da:

9.47

IP(EA), eV:

 -9.11(-1.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E)-2-(aminomethylidene)-N-[5-chloro-6-(triazol-2-yl)pyridin-3-yl]-4,4,4-trifluoro-3-(2-methylquinolin-5-yl)iminobutanamide

Drug info:

PubChemData

Smile

CN=N/N=C(/C1=C(C=C(C=N1)NC(=O)C2=C(N(N=C2)C3=CC=CC4=C3C=CC=N4)C(F)(F)F)C#N)\N

DOS

IR

Vibrations