Geometry & MOs

Info

ID:	432732
PubChem CID:	135172869
Reduced:	ON2C14H17 (2)
Stoich.:	AB2C14D17 (2)
Weight, g/mol:	409.200156
ΔH_f, kcal/mol:	-21.68
Dipole, Da:	3.24
IP(EA), eV:	-8.65(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-[2-(oxolan-3-yloxy)acetyl]piperidin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N(C)CC(=O)N2CCC(CC2)C(CC3C4=CC=CC=C4C5=CN=CN35)O)C

DOS

IR

Vibrations