Geometry & MOs

Info

ID:	429696
PubChem CID:	135169747
Reduced:	OF3N9H18C24 (1)
Stoich.:	AB3C9D18E24 (1)
Weight, g/mol:	502.088034
ΔH_f, kcal/mol:	25.19
Dipole, Da:	3.56
IP(EA), eV:	-8.96(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-chloro-6-(1,5-dihydrotriazol-2-yl)pyridin-3-yl]-1-(2-oxo-1H-quinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2=C(C=C(C=N2)NCOC3=C(N(N=C3)C4=CC=CC5=C4C=CC=N5)C(F)(F)F)C#N)N

DOS

IR

Vibrations