Geometry & MOs

Info

ID:	432637
PubChem CID:	135172773
Reduced:	O2N5C27H29 (1)
Stoich.:	A2B5C27D29 (1)
Weight, g/mol:	481.247775
ΔH_f, kcal/mol:	25.45
Dipole, Da:	7.2
IP(EA), eV:	-8.82(-0.78)
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-[methyl(quinolin-6-yl)amino]ethanone

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCC(CC1)C(CC2C3=CC=CC=C3C4=CN=CN24)O)C5=CC=C(C=C5)C#N

DOS

IR

Vibrations