Geometry & MOs

Info

ID:

429610

PubChem CID:

135169659

Reduced:

ClF3O3N7H17C24 (1)

Stoich.:

AB3C3D7E17F24 (1)

Weight, g/mol:

517.158641

ΔHf, kcal/mol:

-98.6

Dipole, Da:

6.05

IP(EA), eV:

 -9.27(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-cyano-6-[1-methyl-5-(methylamino)pyrazol-3-yl]pyridin-3-yl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COC(C1=NN(N=C1)C2=C(C=C(C=C2)NC(=O)C3=C(N(N=C3)C4=CC=CC5=C4C=CC=N5)C(F)(F)F)Cl)O

DOS

IR

Vibrations