Geometry & MOs

Info

ID:

429693

PubChem CID:

135169744

Reduced:

OSF3N10H17C20 (1)

Stoich.:

ABC3D10E17F20 (1)

Weight, g/mol:

507.137905

ΔHf, kcal/mol:

2.96

Dipole, Da:

6.98

IP(EA), eV:

 -8.72(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-cyano-6-(1,5-dihydrotriazol-2-yl)-2-methylpyridin-3-yl]-1-(1-oxo-2H-isoquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C(=N1)N2N=CC=N2)C#N)NC(=O)/C(=C/N)/C(=NC3=CC=CC(=C3SN)N)C(F)(F)F

DOS

IR

Vibrations