Geometry & MOs

Info

ID:	320164
PubChem CID:	126658515
Reduced:	ClOF3N6C19H24 (1)
Stoich.:	ABC3D6E19F24 (1)
Weight, g/mol:	399.20591
ΔH_f, kcal/mol:	-111.01
Dipole, Da:	5.12
IP(EA), eV:	-8.47(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-6-[2-phenyl-4-(piperidin-1-ylmethyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine

Drug info:

PubChemData

Smile

CC(C)C1C(=CNC=N1)C2=C(C=C(C=C2)C(F)(F)F)OC/C=C\[C@]3(NC(N3N)Cl)N

DOS

IR

Vibrations