Geometry & MOs

Info

ID:	128533
PubChem CID:	51048994
Reduced:	OS2N3H15C17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	336.127406
ΔH_f, kcal/mol:	73.7
Dipole, Da:	4.76
IP(EA), eV:	-8.8(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-fluoro-4-methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]pyridazin-3-one

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C2C3=CNN(C3=NC(=O)CS2)C4=CC=CC=C4

DOS

IR

Vibrations