Geometry & MOs

Info

ID:	431233
PubChem CID:	135171303
Reduced:	PSO2N5C19H20 (1)
Stoich.:	ABC2D5E19F20 (1)
Weight, g/mol:	473.24269
ΔH_f, kcal/mol:	-20.95
Dipole, Da:	6.22
IP(EA), eV:	-8.26(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC3=C(C=C2)N/C(=C/4\C(=O)C5=CSC=C5N(C4=O)P)/N3

DOS

IR

Vibrations