Geometry & MOs

Info

ID:	320159
PubChem CID:	126658504
Reduced:	ClOF3N5H11C17 (1)
Stoich.:	ABC3D5E11F17 (1)
Weight, g/mol:	408.060088
ΔH_f, kcal/mol:	-35.06
Dipole, Da:	7.96
IP(EA), eV:	-9.69(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-6-[2-cyclohexa-2,4-dien-1-yl-5-(trifluoromethoxy)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine

Drug info:

PubChemData

Smile

C1C=NC=CC1C2=C(C=C(C=C2)C(F)(F)F)OC3=NN4C(=NN=C4Cl)C=C3

DOS

IR

Vibrations