Geometry & MOs

Info

ID:	208295
PubChem CID:	80516368
Reduced:	O2N3C9H13 (1)
Stoich.:	A2B3C9D13 (1)
Weight, g/mol:	301.109627
ΔH_f, kcal/mol:	-48.34
Dipole, Da:	3.4
IP(EA), eV:	-9.37(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-diethyl-3-(2-methylsulfonylethylamino)pyridazine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CNC1=C(C=CN=N1)C(=O)O

DOS

IR

Vibrations