Geometry & MOs

Info

ID:	139744
PubChem CID:	52587858
Reduced:	ClIN2O2C15H18 (1)
Stoich.:	ABC2D2E15F18 (1)
Weight, g/mol:	361.261694
ΔH_f, kcal/mol:	-60.92
Dipole, Da:	4.78
IP(EA), eV:	-9.38(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-3-(2-methylpropoxy)propan-1-one

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)I

DOS

IR

Vibrations