Geometry & MOs

Info

ID:	432625
PubChem CID:	135172761
Reduced:	N4O5C28H36 (1)
Stoich.:	A4B5C28D36 (1)
Weight, g/mol:	423.252192
ΔH_f, kcal/mol:	-177.85
Dipole, Da:	5.67
IP(EA), eV:	-9.16(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(C1)OCC(=O)N2CCC(CC2)C(=O)CC3C4=CC=CC=C4C5=CN=CN35

DOS

IR

Vibrations