Geometry & MOs

Info

ID:	178393
PubChem CID:	76321531
Reduced:	F3N3O4H20C24 (1)
Stoich.:	A3B3C4D20E24 (1)
Weight, g/mol:	408.207388
ΔH_f, kcal/mol:	-232.8
Dipole, Da:	5.82
IP(EA), eV:	-9.38(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[6-(4-ethoxypyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]-6-fluoro-2,3-dihydroindole

Drug info:

PubChemData

Smile

C1CN(C(C2=C(N1)N=C(C=C2)C(F)(F)F)C(=O)O)C(=O)CC3=CC(=CC=C3)OC4=CC=CC=C4

DOS

IR

Vibrations