Geometry & MOs

Info

ID:	330266
PubChem CID:	127247253
Reduced:	ON2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	301.153875
ΔH_f, kcal/mol:	2.31
Dipole, Da:	4.78
IP(EA), eV:	-9.49(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-[2-oxo-2-[2-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyridazin-3-one

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CC=NN2)C(=O)C3=NOC4=C3CCCC4

DOS

IR

Vibrations