Geometry & MOs

Info

ID:	432737
PubChem CID:	135172874
Reduced:	O2N4C25H28 (1)
Stoich.:	A2B4C25D28 (1)
Weight, g/mol:	516.273656
ΔH_f, kcal/mol:	-5.26
Dipole, Da:	6.58
IP(EA), eV:	-8.69(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-oxoethyl]-N-phenylcarbamate

Drug info:

PubChemData

Smile

C1CN(CCC1C(CC2C3=CC=CC=C3C4=CN=CN24)O)C(=O)CNC5=CC=CC=C5

DOS

IR

Vibrations