Geometry & MOs

Info

ID:	329626
PubChem CID:	126920387
Reduced:	ON9C17H17 (1)
Stoich.:	AB9C17D17 (1)
Weight, g/mol:	300.169859
ΔH_f, kcal/mol:	129.34
Dipole, Da:	8.73
IP(EA), eV:	-9.36(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(C=NC=C2)N=C1NCC3CN(C3)C4=NN5C=NN=C5C=C4

DOS

IR

Vibrations