Geometry & MOs

Info

ID:	166041
PubChem CID:	74629396
Reduced:	N2F3O5H11C14 (1)
Stoich.:	A2B3C5D11E14 (1)
Weight, g/mol:	249.057198
ΔH_f, kcal/mol:	-328.49
Dipole, Da:	7.02
IP(EA), eV:	-9.64(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methylthiophen-2-yl)methyl]-6-oxo-3H-pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1NC(=O)C(CC(=O)[O-])[NH3+])OC(=O)C=C2C(F)(F)F

DOS

IR

Vibrations