Geometry & MOs

Info

ID:	432675
PubChem CID:	135172811
Reduced:	N2O2C13H13 (2)
Stoich.:	A2B2C13D13 (2)
Weight, g/mol:	445.236542
ΔH_f, kcal/mol:	-43.48
Dipole, Da:	7.2
IP(EA), eV:	-8.9(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethylphenoxy)-1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CCC1C(CC2C3=CC=CC=C3C4=CN=CN24)O)C(=O)COC5=NC6=CC=CC=C6O5

DOS

IR

Vibrations