Geometry & MOs

Info

ID:	122123
PubChem CID:	50795618
Reduced:	FN3O3H24C26 (1)
Stoich.:	AB3C3D24E26 (1)
Weight, g/mol:	406.107733
ΔH_f, kcal/mol:	-55.41
Dipole, Da:	1.38
IP(EA), eV:	-9.04(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1,3-benzodioxol-5-yl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1OCC(=O)NC(C2=CC=C(C=C2)F)C3=NN=C(O3)C4=CC=CC=C4

DOS

IR

Vibrations