Geometry & MOs

Info

ID:	261151
PubChem CID:	103220264
Reduced:	OF2N3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	291.138305
ΔH_f, kcal/mol:	-84.33
Dipole, Da:	6.87
IP(EA), eV:	-9.32(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-fluoro-4-methoxyphenyl)methyl]-5-(propylamino)pyridazin-3-one

Drug info:

PubChemData

Smile

CCCNC1=CC(=O)N(N=C1)CC2=CC(=C(C=C2)F)F

DOS

IR

Vibrations