Geometry & MOs

Info

ID:	432678
PubChem CID:	135172814
Reduced:	F3O8C39H45 (1)
Stoich.:	A3B8C39D45 (1)
Weight, g/mol:	449.150619
ΔH_f, kcal/mol:	-455.63
Dipole, Da:	2.78
IP(EA), eV:	-9.02(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)C2=CC(=CC(=C2)OCCOC(=O)C(=C)CO)OCCOC(=O)C(=C)CO)C3=CC(=C(C=C3)CCCCCC(F)(F)F)C

DOS

IR

Vibrations