Geometry & MOs

Info

ID:	432570
PubChem CID:	135172703
Reduced:	O3N5C23H25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	468.216141
ΔH_f, kcal/mol:	-9.04
Dipole, Da:	4.61
IP(EA), eV:	-8.98(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-quinolin-6-yloxyethanone

Drug info:

PubChemData

Smile

C1CN(CCC1C(CC2C3=CC=CC=C3C4=CN=CN24)O)C(=O)COC5=CN=NC=C5

DOS

IR

Vibrations