Geometry & MOs

Info

ID:	78685
PubChem CID:	49703741
Reduced:	N3O3F4H17C21 (1)
Stoich.:	A3B3C4D17E21 (1)
Weight, g/mol:	411.159434
ΔH_f, kcal/mol:	-244.63
Dipole, Da:	8.33
IP(EA), eV:	-8.9(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-methoxyphenoxy)ethyl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(F)(F)F)OC)N2C(=O)C=CC(=N2)C3=CC=C(C=C3)F

DOS

IR

Vibrations