Geometry & MOs

Info

ID:

429799

PubChem CID:

135169851

Reduced:

O2F3N9H14C21 (1)

Stoich.:

A2B3C9D14E21 (1)

Weight, g/mol:

533.110247

ΔHf, kcal/mol:

4.68

Dipole, Da:

7.15

IP(EA), eV:

 -8.75(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-6-(1,5-dihydrotriazol-2-yl)pyridin-3-yl]-1-[8-fluoro-1-(methylamino)isoquinolin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=NC=CC(=C2O1)N3C(=C(C=N3)C(=O)NC4=CC(=C(N=C4)N5NCC=N5)C#N)C(F)(F)F

DOS

IR

Vibrations