Geometry & MOs

Info

ID:	426986
PubChem CID:	135154872
Reduced:	O3N4C20H22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	423.201888
ΔH_f, kcal/mol:	-19.27
Dipole, Da:	3.14
IP(EA), eV:	-8.71(-0.57)
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-pyrazol-5-ylmethyl)pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=CN=C1N2CCC(CC2)OC3=CN=C(C=C3)OC)C4=COC=C4

DOS

IR

Vibrations