Geometry & MOs

Info

ID:	370065
PubChem CID:	127337327
Reduced:	SO3N6C17H28 (1)
Stoich.:	AB3C6D17E28 (1)
Weight, g/mol:	370.222957
ΔH_f, kcal/mol:	-87.32
Dipole, Da:	5.97
IP(EA), eV:	-8.69(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C1CCCN(C1)C2=NN=CC=C2)C(=O)NC3CCN(CC3)S(=O)(=O)C

DOS

IR

Vibrations