Geometry & MOs

Info

ID:	432624
PubChem CID:	135172760
Reduced:	O3N7C24H25 (1)
Stoich.:	A3B7C24D25 (1)
Weight, g/mol:	508.26857
ΔH_f, kcal/mol:	11.66
Dipole, Da:	2.59
IP(EA), eV:	-8.98(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[2-[4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]piperidin-1-yl]-2-oxoethoxy]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCC1C(CC2C3=CC=CC=C3C4=CN=CN24)O)C(=O)COC5=NC=NC6=C5NC=N6

DOS

IR

Vibrations