Geometry & MOs

Info

ID:	432564
PubChem CID:	135172697
Reduced:	FN3O3C26H28 (1)
Stoich.:	AB3C3D26E28 (1)
Weight, g/mol:	460.247441
ΔH_f, kcal/mol:	-67.56
Dipole, Da:	3.86
IP(EA), eV:	-8.46(-0.43)
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-(3-methoxy-N-methylanilino)ethanone

Drug info:

PubChemData

Smile

C/C/1=C\NC=NC(C2=CC=CC=C12)CC(=O)C3CCN(CC3)C(=O)COC4=CC=C(C=C4)F

DOS

IR

Vibrations