Geometry & MOs

Info

ID:	432550
PubChem CID:	135172683
Reduced:	ClFN3O3H23C25 (1)
Stoich.:	ABC3D3E23F25 (1)
Weight, g/mol:	417.205242
ΔH_f, kcal/mol:	-84.2
Dipole, Da:	3.23
IP(EA), eV:	-9.1(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-phenoxyethanone

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)CC2C3=CC=CC=C3C4=CN=CN24)C(=O)COC5=CC(=C(C=C5)F)Cl

DOS

IR

Vibrations