Geometry & MOs

Info

ID:	141347
PubChem CID:	52864310
Reduced:	ClNO2C21H26 (1)
Stoich.:	ABC2D21E26 (1)
Weight, g/mol:	275.188529
ΔH_f, kcal/mol:	-65.47
Dipole, Da:	4.96
IP(EA), eV:	-8.92(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(1,3-dioxolan-2-yl)-1-(3-phenylpropyl)piperidine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CN(CC2=CC=C(C=C2)Cl)C3CCC(CC3)O

DOS

IR

Vibrations