Geometry & MOs

Info

ID:	432672
PubChem CID:	135172808
Reduced:	ClO2C10H11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	431.220892
ΔH_f, kcal/mol:	-75.1
Dipole, Da:	3.09
IP(EA), eV:	-9.07(-0.32)
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-(4-methylphenoxy)ethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OCC(=O)C)Cl

DOS

IR

Vibrations