Geometry & MOs

Info

ID:	208299
PubChem CID:	80516491
Reduced:	SN3O4C13H15 (1)
Stoich.:	AB3C4D13E15 (1)
Weight, g/mol:	257.116427
ΔH_f, kcal/mol:	-103.67
Dipole, Da:	9.7
IP(EA), eV:	-10.23(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[methyl-[(2-methylphenyl)methyl]amino]pyridazine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC(N1CC2=C(N=CC=C2)C#N)CC(=O)O

DOS

IR

Vibrations