Geometry & MOs

Info

ID:	432673
PubChem CID:	135172809
Reduced:	N3O3C26H29 (1)
Stoich.:	A3B3C26D29 (1)
Weight, g/mol:	429.216475
ΔH_f, kcal/mol:	-51.97
Dipole, Da:	5.15
IP(EA), eV:	-8.79(-0.63)
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-[methyl(pyridin-2-yl)amino]acetyl]piperidin-4-yl]ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations