Geometry & MOs

Info

ID:	432554
PubChem CID:	135172687
Reduced:	O2N3C20H25 (1)
Stoich.:	A2B3C20D25 (1)
Weight, g/mol:	408.216141
ΔH_f, kcal/mol:	-44.85
Dipole, Da:	5.42
IP(EA), eV:	-9.05(-0.66)
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-pyrrolidin-3-yloxyacetyl)piperidin-4-yl]ethanone

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(CC1)C(CC2C3=CC=CC=C3C4=CN=CN24)O

DOS

IR

Vibrations