Geometry & MOs

Info

ID:	370039
PubChem CID:	127337257
Reduced:	ON5C20H35 (1)
Stoich.:	AB5C20D35 (1)
Weight, g/mol:	386.254258
ΔH_f, kcal/mol:	-55.31
Dipole, Da:	6.36
IP(EA), eV:	-8.55(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-2-piperidin-1-ylpropyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)NCC(C)(C)N3CCCCC3

DOS

IR

Vibrations