Geometry & MOs

Info

ID:	143171
PubChem CID:	53157579
Reduced:	F2N3O3C15H15 (1)
Stoich.:	A2B3C3D15E15 (1)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	-145.51
Dipole, Da:	5.95
IP(EA), eV:	-9.56(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethoxy-1-(4-methylphenyl)-3-[4-(2-methylpropyl)piperazine-1-carbonyl]pyridazin-4-one

Drug info:

PubChemData

Smile

CCNC(=O)C1=NN(C(=CC1=O)OCC)C2=CC(=C(C=C2)F)F

DOS

IR

Vibrations