Geometry & MOs

Info

ID:	78686
PubChem CID:	49703747
Reduced:	FN3O4C22H22 (1)
Stoich.:	AB3C4D22E22 (1)
Weight, g/mol:	395.16452
ΔH_f, kcal/mol:	-120.9
Dipole, Da:	4.59
IP(EA), eV:	-8.3(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations