Geometry & MOs

Info

ID:	329689
PubChem CID:	126921557
Reduced:	O2N6C17H22 (1)
Stoich.:	A2B6C17D22 (1)
Weight, g/mol:	423.201888
ΔH_f, kcal/mol:	32.89
Dipole, Da:	10.87
IP(EA), eV:	-8.99(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-4-methoxy-1-methyl-6-oxopyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(OC1)C(=O)NCC2CN(C2)C3=NN4C(=NN=C4C5CC5)C=C3

DOS

IR

Vibrations