Geometry & MOs

Info

ID:	121512
PubChem CID:	50771840
Reduced:	ON5C27H37 (1)
Stoich.:	AB5C27D37 (1)
Weight, g/mol:	347.232125
ΔH_f, kcal/mol:	2.24
Dipole, Da:	4.52
IP(EA), eV:	-7.82(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyethyl)-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NN=C(C=C2)N3CCC(CC3)C(=O)N4CCC(CC4)CC5=CC=CC=C5

DOS

IR

Vibrations