Geometry & MOs

Info

ID:	65868
PubChem CID:	46386958
Reduced:	N3O4H23C26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	365.153955
ΔH_f, kcal/mol:	-27.63
Dipole, Da:	8.75
IP(EA), eV:	-8.96(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-4-[6-(4-fluorophenoxy)pyridazin-3-yl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)C3=NN=C(C=C3)OC4=CC=CC(=C4)OC

DOS

IR

Vibrations