Geometry & MOs

Info

ID:	369562
PubChem CID:	127334617
Reduced:	ON4C22H22 (1)
Stoich.:	AB4C22D22 (1)
Weight, g/mol:	397.222623
ΔH_f, kcal/mol:	41.58
Dipole, Da:	3.31
IP(EA), eV:	-8.71(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-(1-methylpyrazol-4-yl)-6-oxo-N-(1-pyridazin-3-ylpiperidin-3-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NN=CC=C2)NC(=O)C3=CC=C4CCC5=C4C3=CC=C5

DOS

IR

Vibrations