Geometry & MOs

Info

ID:	426983
PubChem CID:	135154868
Reduced:	FO3N5C27H30 (1)
Stoich.:	AB3C5D27E30 (1)
Weight, g/mol:	424.197137
ΔH_f, kcal/mol:	-83.28
Dipole, Da:	5.79
IP(EA), eV:	-8.81(-0.94)
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-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1N2CCC(CC2)OC3=CN=C(C=C3)OC)C(=O)N[C@@H]4CCC5=C(C4)C=CC(=C5)F

DOS

IR

Vibrations