Geometry & MOs

Info

ID:	347731
PubChem CID:	127272793
Reduced:	ON5C19H27 (1)
Stoich.:	AB5C19D27 (1)
Weight, g/mol:	255.11384
ΔH_f, kcal/mol:	28.8
Dipole, Da:	7.46
IP(EA), eV:	-8.79(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-(4,4-dimethylpiperidin-1-yl)-2-methylpyridazin-3-one

Drug info:

PubChemData

Smile

COCC1=NC2=NC=NN2C(=C1)N3CCCC3CC4CC5CCC4C5

DOS

IR

Vibrations