Geometry & MOs

Info

ID:	370072
PubChem CID:	127337335
Reduced:	OF3N4C18H27 (1)
Stoich.:	AB3C4D18E27 (1)
Weight, g/mol:	386.254258
ΔH_f, kcal/mol:	-218.7
Dipole, Da:	6.01
IP(EA), eV:	-9.34(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)NC3CCCC(C3)C(F)(F)F

DOS

IR

Vibrations