Geometry & MOs

Info

ID:	432601
PubChem CID:	135172736
Reduced:	N2O2C15H17 (2)
Stoich.:	A2B2C15D17 (2)
Weight, g/mol:	451.166269
ΔH_f, kcal/mol:	-102.61
Dipole, Da:	4.4
IP(EA), eV:	-8.98(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenoxy)-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)N(CC(=O)N1CCC(CC1)C(=O)CC2C3=CC=CC=C3C4=CN=CN24)C5=CC=CC=C5

DOS

IR

Vibrations