Geometry & MOs

Info

ID:	426830
PubChem CID:	135154092
Reduced:	OSF2N3H13C15 (1)
Stoich.:	ABC2D3E13F15 (1)
Weight, g/mol:	404.196074
ΔH_f, kcal/mol:	-46.88
Dipole, Da:	4.33
IP(EA), eV:	-9.63(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-(pyridin-4-ylmethyl)-6-(4-pyridin-3-yloxypiperidin-1-yl)pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC=C1C2=CC=CC=C2)C(=O)C3=C(N=NS3)C(F)F

DOS

IR

Vibrations