Geometry & MOs

Info

ID:	161847
PubChem CID:	57392831
Reduced:	ClNO3C29H32 (1)
Stoich.:	ABC3D29E32 (1)
Weight, g/mol:	509.233286
ΔH_f, kcal/mol:	-73.57
Dipole, Da:	4.96
IP(EA), eV:	-8.99(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-(4-benzyl-4-hydroxypiperidin-1-yl)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one;hydrochloride

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CC=C(C=C2)Cl)CC(COC3=CC=CC=C3C(=O)CCC4=CC=CC=C4)O

DOS

IR

Vibrations