Geometry & MOs

Info

ID:	78688
PubChem CID:	49703750
Reduced:	N3O3F4H19C22 (1)
Stoich.:	A3B3C4D19E22 (1)
Weight, g/mol:	425.175084
ΔH_f, kcal/mol:	-243.52
Dipole, Da:	3.58
IP(EA), eV:	-9.46(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NCCOC1=CC=CC(=C1)C(F)(F)F)N2C(=O)C=CC(=N2)C3=CC=C(C=C3)F

DOS

IR

Vibrations