Geometry & MOs

Info

ID:	261365
PubChem CID:	103228757
Reduced:	ClN2O2C12H17 (1)
Stoich.:	AB2C2D12E17 (1)
Weight, g/mol:	244.097856
ΔH_f, kcal/mol:	-38.02
Dipole, Da:	3.59
IP(EA), eV:	-9.34(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloropyridin-3-yl)oxy-N-ethyl-3-methoxypropan-1-amine

Drug info:

PubChemData

Smile

COCC(CNC1CC1)OC2=CC(=CN=C2)Cl

DOS

IR

Vibrations