Geometry & MOs

Info

ID:	370047
PubChem CID:	127337275
Reduced:	ON5C21H31 (1)
Stoich.:	AB5C21D31 (1)
Weight, g/mol:	381.227709
ΔH_f, kcal/mol:	-21.08
Dipole, Da:	6.06
IP(EA), eV:	-8.77(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-adamantyl)-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)NC3C4CC5CC(C4)CC3C5

DOS

IR

Vibrations