Geometry & MOs

Info

ID:	370220
PubChem CID:	127337788
Reduced:	ON7C16H23 (1)
Stoich.:	AB7C16D23 (1)
Weight, g/mol:	341.171256
ΔH_f, kcal/mol:	50.45
Dipole, Da:	8.02
IP(EA), eV:	-8.83(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-pyrazol-1-ylethyl)-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)NCCN3C=CC=N3

DOS

IR

Vibrations