Geometry & MOs

Info

ID:	330335
PubChem CID:	127247322
Reduced:	O2N4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	315.169525
ΔH_f, kcal/mol:	-7.21
Dipole, Da:	3.11
IP(EA), eV:	-9.41(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-[2-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCCCN2C(=O)C3=NOC4=C3CCCC4

DOS

IR

Vibrations