Geometry & MOs

Info

ID:	48492
PubChem CID:	10587864
Reduced:	ClOC16H23 (1)
Stoich.:	ABC16D23 (1)
Weight, g/mol:	265.96909
ΔH_f, kcal/mol:	-66.27
Dipole, Da:	3.64
IP(EA), eV:	-8.49(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-phenoxy-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(CCC2)CCCCCCl

DOS

IR

Vibrations