Geometry & MOs

Info

ID:	320139
PubChem CID:	126658455
Reduced:	OF2N4H16C20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	420.071321
ΔH_f, kcal/mol:	-2.87
Dipole, Da:	6.83
IP(EA), eV:	-9.41(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]-4-(trifluoromethyl)phenyl]-N-methylpyridin-2-amine

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)OC2=NN3C(=NN=C3CC4=CC=CC=C4)C=C2)(F)F

DOS

IR

Vibrations