Geometry & MOs

Info

ID:

429936

PubChem CID:

135169991

Reduced:

ClF3O3N8H18C23 (1)

Stoich.:

AB3C3D8E18F23 (1)

Weight, g/mol:

570.114249

ΔHf, kcal/mol:

-109.29

Dipole, Da:

4.97

IP(EA), eV:

 -8.81(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-6-(triazol-2-yl)pyridin-3-yl]-1-[1-(2-oxopropoxymethyl)isoquinolin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COC(=O)/C(=C/N(C1=C(C=C(C=N1)NC(=O)C2=C(N(N=C2)C3=CC=CC4=C3C=CC=N4)C(F)(F)F)Cl)N)/N

DOS

IR

Vibrations