Geometry & MOs

Info

ID:	208310
PubChem CID:	80516886
Reduced:	SN3O4C13H15 (1)
Stoich.:	AB3C4D13E15 (1)
Weight, g/mol:	266.174276
ΔH_f, kcal/mol:	-122.27
Dipole, Da:	10.53
IP(EA), eV:	-9.92(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridazine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)C#N)N2CCS(=O)(=O)CC2CC(=O)O

DOS

IR

Vibrations