Geometry & MOs

Info

ID:	78693
PubChem CID:	49703758
Reduced:	FO3N4H17C20 (1)
Stoich.:	AB3C4D17E20 (1)
Weight, g/mol:	394.144119
ΔH_f, kcal/mol:	-86.33
Dipole, Da:	4.46
IP(EA), eV:	-9.23(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1C(=O)N)N2C(=O)C=CC(=N2)C3=CC=C(C=C3)F

DOS

IR

Vibrations