Geometry & MOs

Info

ID:	78689
PubChem CID:	49703751
Reduced:	FN3O4C23H24 (1)
Stoich.:	AB3C4D23E24 (1)
Weight, g/mol:	466.212867
ΔH_f, kcal/mol:	-128.71
Dipole, Da:	1.1
IP(EA), eV:	-8.27(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]propanamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)OCCNC(=O)C(C)N2C(=O)C=CC(=N2)C3=CC=C(C=C3)F

DOS

IR

Vibrations