Geometry & MOs

Info

ID:

429802

PubChem CID:

135169855

Reduced:

F3O3N10H21C27 (1)

Stoich.:

A3B3C10D21E27 (1)

Weight, g/mol:

441.141259

ΔHf, kcal/mol:

-56.67

Dipole, Da:

12.72

IP(EA), eV:

 -9.56(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E)-2-(aminomethylidene)-N-(2-cyclopropylpyridin-4-yl)-4,4,4-trifluoro-3-[(1-oxo-2H-isoquinolin-5-yl)imino]butanamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=NC=C(C2=CC=CC=C21)N3C(=C(C=N3)C(=O)NC4=CC(=C(N=C4)N5N=CC=N5)C#N)C(F)(F)F

DOS

IR

Vibrations