Geometry & MOs

Info

ID:	432600
PubChem CID:	135172734
Reduced:	F3N3O3C26H26 (1)
Stoich.:	A3B3C3D26E26 (1)
Weight, g/mol:	514.258006
ΔH_f, kcal/mol:	-203.73
Dipole, Da:	6.6
IP(EA), eV:	-8.9(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations