Geometry & MOs

Info

ID:	271684
PubChem CID:	103688084
Reduced:	ClN2O3C10H11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	257.116427
ΔH_f, kcal/mol:	-86.33
Dipole, Da:	1.45
IP(EA), eV:	-9.67(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-ethylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1=O)C(=O)C2=CC=C(O2)Cl

DOS

IR

Vibrations