Geometry & MOs

Info

ID:	141624
PubChem CID:	52903565
Reduced:	N3O3C13H13 (1)
Stoich.:	A3B3C13D13 (1)
Weight, g/mol:	258.087866
ΔH_f, kcal/mol:	-59.69
Dipole, Da:	4.33
IP(EA), eV:	-9.33(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)butanoate

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C2=NN(C(=O)C=C2)CCCC(=O)O

DOS

IR

Vibrations