Geometry & MOs

Info

ID:

429608

PubChem CID:

135169657

Reduced:

ClOF3N9H13C19 (1)

Stoich.:

ABC3D9E13F19 (1)

Weight, g/mol:

542.15572

ΔHf, kcal/mol:

0.87

Dipole, Da:

6.78

IP(EA), eV:

 -9.06(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E)-2-(aminomethylidene)-N-[5-chloro-6-(4-ethyltriazol-2-yl)pyridin-3-yl]-3-(1-ethylisoquinolin-5-yl)imino-4,4,4-trifluorobutanamide

Drug info:

PubChemData

Smile

C1=CC2=NC=CN2C(=C1)/N=C(/C(=C\N)/C(=O)NC3=CC(=C(N=C3)N4N=CC=N4)Cl)\C(F)(F)F

DOS

IR

Vibrations