Geometry & MOs

Info

ID:	128702
PubChem CID:	51054763
Reduced:	ClO3N4C23H23 (1)
Stoich.:	AB3C4D23E23 (1)
Weight, g/mol:	395.16452
ΔH_f, kcal/mol:	-29.79
Dipole, Da:	1.39
IP(EA), eV:	-8.15(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-fluoro-2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CN3C(=O)C=CC(=N3)C4=CC=CC=C4Cl

DOS

IR

Vibrations