Geometry & MOs

Info

ID:	432747
PubChem CID:	135172884
Reduced:	N3O6H33C34 (1)
Stoich.:	A3B6C33D34 (1)
Weight, g/mol:	470.217872
ΔH_f, kcal/mol:	-98.49
Dipole, Da:	7.37
IP(EA), eV:	-8.92(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-[2-[methyl(7H-purin-6-yl)amino]acetyl]piperidin-4-yl]ethanone

Drug info:

PubChemData

Smile

C=C1CC2(C3=CC=CC=C3N(C2=O)CCCN(CCCN4C5=CC=CC=C5C6(C4=O)CC(=C)C(=O)O6)CCC#C)OC1=O

DOS

IR

Vibrations