Geometry & MOs

Info

ID:	432720
PubChem CID:	135172857
Reduced:	N3O4C24H33 (1)
Stoich.:	A3B4C24D33 (1)
Weight, g/mol:	411.215806
ΔH_f, kcal/mol:	-111.08
Dipole, Da:	5.69
IP(EA), eV:	-8.59(-0.1)
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-(oxolan-3-yloxy)ethanone

Drug info:

PubChemData

Smile

C/C/1=C\NC=NC(C2=CC=CC=C12)CC(C3CCN(CC3)C(=O)COC4CCOC4)O

DOS

IR

Vibrations