Geometry & MOs

Info

ID:	369473
PubChem CID:	127334134
Reduced:	ON6C21H30 (1)
Stoich.:	AB6C21D30 (1)
Weight, g/mol:	317.185175
ΔH_f, kcal/mol:	28.54
Dipole, Da:	6.7
IP(EA), eV:	-8.68(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)N(C)C3CCCN(C3)C4=NN=CC=C4

DOS

IR

Vibrations