Geometry & MOs

Info

ID:	426881
PubChem CID:	135154327
Reduced:	ON6C20H20 (1)
Stoich.:	AB6C20D20 (1)
Weight, g/mol:	437.217538
ΔH_f, kcal/mol:	66.41
Dipole, Da:	6.85
IP(EA), eV:	-8.26(-0.67)
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-[2-(1H-pyrazol-4-yl)ethyl]pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NC2=CC(=C(C=C2)OC)C3=CC4=C(N3)C=NC=C4)NC

DOS

IR

Vibrations