Geometry & MOs

Info

ID:	260027
PubChem CID:	103179213
Reduced:	ClNO3C12H18 (1)
Stoich.:	ABC3D12E18 (1)
Weight, g/mol:	233.14495
ΔH_f, kcal/mol:	-113.25
Dipole, Da:	4.08
IP(EA), eV:	-9.76(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxypropoxy)-N-(thiolan-2-ylmethyl)ethanamine

Drug info:

PubChemData

Smile

COCCCOCCOC1=CC(=NC=C1)CCl

DOS

IR

Vibrations