Geometry & MOs

Info

ID:	330433
PubChem CID:	127247420
Reduced:	ON2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	301.153875
ΔH_f, kcal/mol:	-24.97
Dipole, Da:	1.25
IP(EA), eV:	-9.35(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=CC=N1)C(=O)N2CCCC(C2)C3=CC=NN3

DOS

IR

Vibrations