Geometry & MOs

Info

ID:	258751
PubChem CID:	103156788
Reduced:	ClFN2O2C11H14 (1)
Stoich.:	ABC2D2E11F14 (1)
Weight, g/mol:	226.10659
ΔH_f, kcal/mol:	-122.38
Dipole, Da:	3.32
IP(EA), eV:	-9.08(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methoxy-N-(6-oxo-1H-pyridazin-3-yl)butanamide

Drug info:

PubChemData

Smile

COC(CC(=O)NC1=C(C=CC=C1Cl)F)CN

DOS

IR

Vibrations