Geometry & MOs

Info

ID:	121834
PubChem CID:	50783222
Reduced:	ON4C13H18 (2)
Stoich.:	AB4C13D18 (2)
Weight, g/mol:	475.305959
ΔH_f, kcal/mol:	25.26
Dipole, Da:	8.45
IP(EA), eV:	-8.26(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclohexyl(methyl)amino]ethyl]-1-[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCCNC(=O)C2CCN(CC2)C3=NN4C(=NN=C4C5=CC=C(C=C5)OC)C=C3

DOS

IR

Vibrations