Geometry & MOs

Info

ID:	432731
PubChem CID:	135172868
Reduced:	FN2O4C19H27 (1)
Stoich.:	AB2C4D19E27 (1)
Weight, g/mol:	458.268176
ΔH_f, kcal/mol:	-215.21
Dipole, Da:	2.75
IP(EA), eV:	-9.33(0.12)
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-(N,3,4-trimethylanilino)ethanone

Drug info:

PubChemData

Smile

C[C@H]([C@H]([C@@H]1C[C@@H](CN1)F)OC)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC

DOS

IR

Vibrations