Geometry & MOs

Info

ID:	432693
PubChem CID:	135172829
Reduced:	NC4H7 (3)
Stoich.:	AB4C7 (3)
Weight, g/mol:	469.156848
ΔH_f, kcal/mol:	35.76
Dipole, Da:	1.8
IP(EA), eV:	-8.03(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)/C=N\C(=C(/C(=C)C)\N)\NC=C

DOS

IR

Vibrations