Geometry & MOs

Info

ID:	431330
PubChem CID:	135171405
Reduced:	BrNF3O3C10H15 (1)
Stoich.:	ABC3D3E10F15 (1)
Weight, g/mol:	473.24269
ΔH_f, kcal/mol:	-298.15
Dipole, Da:	1.96
IP(EA), eV:	-9.96(-1.06)
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-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)/C(=C(\NC(CBr)C(=O)O)/OC)/C(F)(F)F

DOS

IR

Vibrations