Geometry & MOs

Info

ID:	309977
PubChem CID:	126571980
Reduced:	ClO6C19H19 (1)
Stoich.:	AB6C19D19 (1)
Weight, g/mol:	397.261694
ΔH_f, kcal/mol:	-169.34
Dipole, Da:	4.07
IP(EA), eV:	-8.56(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-4-methyl-4-[2-(2-phenylmethoxypropoxy)ethoxy]piperidine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\C2=CC(=C(C(=C2)OC)OC)OC)OC(=O)Cl

DOS

IR

Vibrations