Geometry & MOs

Info

ID:	78716
PubChem CID:	49703905
Reduced:	F2N3O3H19C21 (1)
Stoich.:	A2B3C3D19E21 (1)
Weight, g/mol:	417.205242
ΔH_f, kcal/mol:	-133.24
Dipole, Da:	7.01
IP(EA), eV:	-8.94(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-ethoxyphenyl)-2-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)C(C)C(=O)NC3=C(C=CC(=C3)F)F

DOS

IR

Vibrations