Geometry & MOs

Info

ID:	432689
PubChem CID:	135172825
Reduced:	O8C43H50 (1)
Stoich.:	A8B43C50 (1)
Weight, g/mol:	454.200491
ΔH_f, kcal/mol:	-288.31
Dipole, Da:	0.76
IP(EA), eV:	-8.68(-0.61)
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-(1H-indol-5-yloxy)acetyl]piperidin-4-yl]ethanone

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=C(C(=CC(=C4)OCCOC(=O)C(C)(C)CO)OCCOC(=O)C(=C)CO)C

DOS

IR

Vibrations