Geometry & MOs

Info

ID:	434245
PubChem CID:	135174492
Reduced:	SF2O3N8H20C22 (1)
Stoich.:	AB2C3D8E20F22 (1)
Weight, g/mol:	474.237939
ΔH_f, kcal/mol:	-88.29
Dipole, Da:	6.25
IP(EA), eV:	-8.79(-1.23)
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-(5,6,7,8-tetrahydroisoquinolin-7-yl)pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C2=NC(=NC(=C2N(C1=O)C3=C4C=NNC4=C(C=C3)F)N)NC5=C(C=C(C=C5)S(=O)(=O)C)F

DOS

IR

Vibrations