Geometry & MOs

Info

ID:	370070
PubChem CID:	127337332
Reduced:	O2N6C17H26 (1)
Stoich.:	A2B6C17D26 (1)
Weight, g/mol:	358.186572
ΔH_f, kcal/mol:	-40.76
Dipole, Da:	6.85
IP(EA), eV:	-8.71(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-oxo-2-pyrrolidin-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)NCC(=O)N3CCCC3

DOS

IR

Vibrations