Geometry & MOs

Info

ID:	147426
PubChem CID:	53787082
Reduced:	N3O3C29H37 (1)
Stoich.:	A3B3C29D37 (1)
Weight, g/mol:	508.168434
ΔH_f, kcal/mol:	-74.33
Dipole, Da:	5.74
IP(EA), eV:	-8.12(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCOC1=CC=CC=C1OC(=O)NC2=CC3=C(C=C2)NC=C3C4=CCN(CC4)C(C)CCC

DOS

IR

Vibrations