Geometry & MOs

Info

ID:	262463
PubChem CID:	103294369
Reduced:	O2N4C11H14 (1)
Stoich.:	A2B4C11D14 (1)
Weight, g/mol:	220.096026
ΔH_f, kcal/mol:	-6.86
Dipole, Da:	5.59
IP(EA), eV:	-9.73(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)pentanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(C)C1=NN=C2N1N=CC=C2

DOS

IR

Vibrations