Geometry & MOs

Info

ID:	141422
PubChem CID:	52875191
Reduced:	ClN4C17H25 (1)
Stoich.:	AB4C17D25 (1)
Weight, g/mol:	345.116542
ΔH_f, kcal/mol:	26.6
Dipole, Da:	7.94
IP(EA), eV:	-8.81(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[4-(3-chloropropyl)phenyl]sulfonyl-3-ethoxypiperidine

Drug info:

PubChemData

Smile

CCC(CC)[C@@H](CNC1=C(C=C(C=N1)C#N)Cl)N2CCCC2

DOS

IR

Vibrations