Geometry & MOs

Info

ID:	208305
PubChem CID:	80516881
Reduced:	SN3O4C13H19 (1)
Stoich.:	AB3C4D13E19 (1)
Weight, g/mol:	281.173942
ΔH_f, kcal/mol:	-161.97
Dipole, Da:	5.96
IP(EA), eV:	-9.6(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)C)N2CCS(=O)(=O)CC2CC(=O)O

DOS

IR

Vibrations