Geometry & MOs

Info

ID:	147427
PubChem CID:	53787083
Reduced:	Cl2N2O2C29H30 (1)
Stoich.:	A2B2C2D29E30 (1)
Weight, g/mol:	508.168434
ΔH_f, kcal/mol:	-24.66
Dipole, Da:	2.71
IP(EA), eV:	-7.9(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(3,4-dichlorophenyl)-3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-2-methylisoindol-1-ol

Drug info:

PubChemData

Smile

CN1C(=C2C=CC=CC2=C1O)[C@H](CCN3CCC(CC3)(C4=CC=CC=C4)O)C5=CC(=C(C=C5)Cl)Cl

DOS

IR

Vibrations