Geometry & MOs

Info

ID:	65880
PubChem CID:	46386970
Reduced:	FN3O4H18C25 (1)
Stoich.:	AB3C4D18E25 (1)
Weight, g/mol:	429.112484
ΔH_f, kcal/mol:	-62.98
Dipole, Da:	4.81
IP(EA), eV:	-8.4(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-4-[6-(4-fluorophenoxy)pyridazin-3-yl]benzamide

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)C4=NN=C(C=C4)OC5=CC=C(C=C5)F

DOS

IR

Vibrations