Geometry & MOs

Info

ID:	299885
PubChem CID:	117843382
Reduced:	ON3C11H14 (2)
Stoich.:	AB3C11D14 (2)
Weight, g/mol:	454.086445
ΔH_f, kcal/mol:	-0.78
Dipole, Da:	3.01
IP(EA), eV:	-8.47(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(3-methoxyphenyl)-5-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

Drug info:

PubChemData

Smile

CC(C)(C)N1C=C(C=N1)C2=NC(=C3C(=C2)N=CN3C)O[C@H](CC=C)[C@@H]4CC(=O)NC4

DOS

IR

Vibrations