Geometry & MOs

Info

ID:	426818
PubChem CID:	135154044
Reduced:	ON3C12H12 (2)
Stoich.:	AB3C12D12 (2)
Weight, g/mol:	420.190989
ΔH_f, kcal/mol:	50.82
Dipole, Da:	6.57
IP(EA), eV:	-9.19(-1.09)
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-pyridin-3-ylpyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1N2CCC(CC2)OC3=CC=CC(=C3)C#N)C(=O)NCC4=CC=NC=C4

DOS

IR

Vibrations