Geometry & MOs

Info

ID:	346561
PubChem CID:	127271065
Reduced:	O4N5C15H17 (1)
Stoich.:	A4B5C15D17 (1)
Weight, g/mol:	343.175673
ΔH_f, kcal/mol:	-135.22
Dipole, Da:	2.81
IP(EA), eV:	-9.67(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methyl-5-oxopyrrolidin-3-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN1CC(CC1=O)NC(=O)C2=NC3=C(C=C2)C(=O)N(C(=O)N3C)C

DOS

IR

Vibrations