Geometry & MOs

Info

ID:

429879

PubChem CID:

135169933

Reduced:

OF3N8H23C25 (1)

Stoich.:

AB3C8D23E25 (1)

Weight, g/mol:

528.140069

ΔHf, kcal/mol:

-35.93

Dipole, Da:

5.2

IP(EA), eV:

 -8.21(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(1-aminoisoquinolin-4-yl)-N-[5-chloro-2-methyl-6-(1-methylpyrazol-3-yl)-1,2-dihydropyridin-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=C(C=C(CN2)NC(=O)C3=C(N(N=C3)C4=CC=CC5=C4C=CC=N5)C(F)(F)F)C#N

DOS

IR

Vibrations