Geometry & MOs

Info

ID:	432736
PubChem CID:	135172873
Reduced:	O3N7H23C24 (1)
Stoich.:	A3B7C23D24 (1)
Weight, g/mol:	416.221226
ΔH_f, kcal/mol:	25.81
Dipole, Da:	8.88
IP(EA), eV:	-9.07(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-anilino-1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations