Geometry & MOs

Info

ID:	261575
PubChem CID:	103241125
Reduced:	BrNSO2C9H10 (1)
Stoich.:	ABCD2E9F10 (1)
Weight, g/mol:	218.069142
ΔH_f, kcal/mol:	-30.99
Dipole, Da:	5.24
IP(EA), eV:	-9.62(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methoxyphenoxy)-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

C1=C(SC(=C1)Br)CNC/C=C/C(=O)O

DOS

IR

Vibrations